USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1014 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 ASN : amide:sc= 0.756 K(o=0.76,f=-1.1) USER MOD Set 1.2: A 63 GLN : amide:sc= 0 K(o=0.76,f=0.15) USER MOD Set 2.1: A 51 SER OG : rot 143:sc= 0.0261 USER MOD Set 2.2: A 56 CYS SG : rot 180:sc= 0.0254 USER MOD Set 3.1: A 53 ASN : amide:sc= 0.0247 K(o=0.05,f=-1.1) USER MOD Set 3.2: A 83 LYS NZ :NH3+ -118:sc= 0.0256 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.35 (180deg=0.873) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.899 K(o=0.9,f=-3.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 45:sc= 0.521 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.6! C(o=-1.6!,f=-2.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 16:sc= 0.00387 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.05 (180deg=0.798) USER MOD Single : A 58 HIS : +bothHN:sc= 0.849 K(o=0.85,f=-7.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00255 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 65 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-1.9!) USER MOD Single : A 67 ASN : amide:sc= -0.762 K(o=-0.76,f=-4.1!) USER MOD Single : A 68 ASN : amide:sc= -0.0983 X(o=-0.098,f=-0.3) USER MOD Single : A 72 GLN : amide:sc= -0.0371 K(o=-0.037,f=-0.97) USER MOD Single : A 73 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 74 LYS NZ :NH3+ -109:sc= 0.784 (180deg=0.015) USER MOD Single : A 80 SER OG : rot 96:sc= 1.3 USER MOD Single : A 81 MET CE :methyl 169:sc=-0.00166 (180deg=-0.159) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 96 ASN : amide:sc= -0.163 K(o=-0.16,f=-5.9!) USER MOD Single : A 101 THR OG1 : rot 106:sc= 1.05 USER MOD Single : A 107 GLN : amide:sc= 1.2 K(o=1.2,f=-0.0082) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -158:sc= -0.0621 (180deg=-0.343) USER MOD Single : A 116 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.27) USER MOD Single : A 120 SER OG : rot 73:sc= 1.21 USER MOD Single : A 125 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.0079) USER MOD Single : A 126 ASN : amide:sc= 1.07 K(o=1.1,f=-0.96) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.704 19.283 -0.886 1.00 0.00 N ATOM 2 CA MET A 1 -27.439 20.005 -0.696 1.00 0.00 C ATOM 3 C MET A 1 -26.933 19.661 0.690 1.00 0.00 C ATOM 4 O MET A 1 -27.719 19.640 1.634 1.00 0.00 O ATOM 5 CB MET A 1 -27.582 21.523 -0.874 1.00 0.00 C ATOM 6 CG MET A 1 -27.735 21.924 -2.347 1.00 0.00 C ATOM 7 SD MET A 1 -29.238 21.322 -3.167 1.00 0.00 S ATOM 8 CE MET A 1 -29.004 22.056 -4.810 1.00 0.00 C ATOM 0 H1 MET A 1 -29.241 19.722 -1.661 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.505 18.290 -1.121 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.263 19.326 -0.010 1.00 0.00 H new ATOM 0 HA MET A 1 -26.729 19.696 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.448 21.872 -0.313 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.708 22.020 -0.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.716 23.012 -2.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.869 21.556 -2.898 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.843 21.787 -5.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.950 23.141 -4.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.078 21.682 -5.247 1.00 0.00 H new ATOM 18 N LYS A 2 -25.642 19.372 0.799 1.00 0.00 N ATOM 19 CA LYS A 2 -24.905 19.004 2.001 1.00 0.00 C ATOM 20 C LYS A 2 -23.526 19.658 1.855 1.00 0.00 C ATOM 21 O LYS A 2 -23.129 19.940 0.718 1.00 0.00 O ATOM 22 CB LYS A 2 -24.858 17.463 2.039 1.00 0.00 C ATOM 23 CG LYS A 2 -24.268 16.872 3.326 1.00 0.00 C ATOM 24 CD LYS A 2 -24.443 15.345 3.349 1.00 0.00 C ATOM 25 CE LYS A 2 -23.859 14.697 4.613 1.00 0.00 C ATOM 26 NZ LYS A 2 -22.383 14.675 4.601 1.00 0.00 N ATOM 0 H LYS A 2 -25.034 19.391 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 2 -25.349 19.339 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -25.870 17.079 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -24.272 17.110 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -23.210 17.123 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -24.759 17.313 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -25.504 15.105 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -23.961 14.916 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -24.205 15.242 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -24.235 13.678 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -22.035 14.229 5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.051 14.132 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.022 15.648 4.542 1.00 0.00 H new ATOM 40 N ALA A 3 -22.801 19.915 2.950 1.00 0.00 N ATOM 41 CA ALA A 3 -21.439 20.440 2.849 1.00 0.00 C ATOM 42 C ALA A 3 -20.630 19.420 2.046 1.00 0.00 C ATOM 43 O ALA A 3 -20.663 18.224 2.357 1.00 0.00 O ATOM 44 CB ALA A 3 -20.846 20.732 4.231 1.00 0.00 C ATOM 0 H ALA A 3 -23.131 19.769 3.904 1.00 0.00 H new ATOM 0 HA ALA A 3 -21.422 21.401 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -19.834 21.120 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -21.463 21.470 4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -20.819 19.813 4.817 1.00 0.00 H new ATOM 50 N LEU A 4 -19.925 19.889 1.020 1.00 0.00 N ATOM 51 CA LEU A 4 -19.196 19.093 0.038 1.00 0.00 C ATOM 52 C LEU A 4 -18.073 18.233 0.610 1.00 0.00 C ATOM 53 O LEU A 4 -17.552 17.419 -0.143 1.00 0.00 O ATOM 54 CB LEU A 4 -18.642 19.998 -1.078 1.00 0.00 C ATOM 55 CG LEU A 4 -19.649 20.595 -2.079 1.00 0.00 C ATOM 56 CD1 LEU A 4 -20.503 19.520 -2.758 1.00 0.00 C ATOM 57 CD2 LEU A 4 -20.558 21.686 -1.504 1.00 0.00 C ATOM 0 H LEU A 4 -19.843 20.890 0.842 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.930 18.392 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.108 20.823 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -17.908 19.424 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.014 21.077 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -21.197 19.992 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.856 18.831 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -21.065 18.971 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.232 22.045 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -21.141 21.276 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -19.948 22.514 -1.141 1.00 0.00 H new ATOM 69 N GLU A 5 -17.692 18.418 1.877 1.00 0.00 N ATOM 70 CA GLU A 5 -16.740 17.655 2.688 1.00 0.00 C ATOM 71 C GLU A 5 -16.396 16.295 2.069 1.00 0.00 C ATOM 72 O GLU A 5 -17.178 15.343 2.146 1.00 0.00 O ATOM 73 CB GLU A 5 -17.311 17.451 4.102 1.00 0.00 C ATOM 74 CG GLU A 5 -17.652 18.746 4.849 1.00 0.00 C ATOM 75 CD GLU A 5 -16.455 19.685 4.916 1.00 0.00 C ATOM 76 OE1 GLU A 5 -15.544 19.442 5.736 1.00 0.00 O ATOM 77 OE2 GLU A 5 -16.391 20.616 4.082 1.00 0.00 O ATOM 0 H GLU A 5 -18.086 19.189 2.417 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.817 18.233 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.211 16.841 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.589 16.886 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.481 19.247 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.985 18.507 5.859 1.00 0.00 H new ATOM 84 N HIS A 6 -15.241 16.224 1.416 1.00 0.00 N ATOM 85 CA HIS A 6 -14.777 15.072 0.651 1.00 0.00 C ATOM 86 C HIS A 6 -13.272 14.867 0.828 1.00 0.00 C ATOM 87 O HIS A 6 -12.610 14.485 -0.125 1.00 0.00 O ATOM 88 CB HIS A 6 -15.182 15.229 -0.829 1.00 0.00 C ATOM 89 CG HIS A 6 -14.603 16.456 -1.497 1.00 0.00 C ATOM 90 ND1 HIS A 6 -15.190 17.703 -1.534 1.00 0.00 N ATOM 91 CD2 HIS A 6 -13.417 16.529 -2.169 1.00 0.00 C ATOM 92 CE1 HIS A 6 -14.364 18.529 -2.203 1.00 0.00 C ATOM 93 NE2 HIS A 6 -13.272 17.836 -2.589 1.00 0.00 N ATOM 0 H HIS A 6 -14.576 16.998 1.405 1.00 0.00 H new ATOM 0 HA HIS A 6 -15.257 14.170 1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.863 14.344 -1.379 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.269 15.270 -0.895 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -16.091 17.955 -1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.724 15.718 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.545 19.575 -2.399 1.00 0.00 H new ATOM 102 N GLU A 7 -12.724 15.129 2.020 1.00 0.00 N ATOM 103 CA GLU A 7 -11.327 14.882 2.421 1.00 0.00 C ATOM 104 C GLU A 7 -10.405 16.061 2.087 1.00 0.00 C ATOM 105 O GLU A 7 -9.188 15.932 2.218 1.00 0.00 O ATOM 106 CB GLU A 7 -10.746 13.550 1.896 1.00 0.00 C ATOM 107 CG GLU A 7 -11.627 12.328 2.196 1.00 0.00 C ATOM 108 CD GLU A 7 -11.252 11.142 1.313 1.00 0.00 C ATOM 109 OE1 GLU A 7 -10.087 10.691 1.377 1.00 0.00 O ATOM 110 OE2 GLU A 7 -12.150 10.601 0.618 1.00 0.00 O ATOM 0 H GLU A 7 -13.271 15.542 2.776 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.366 14.785 3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.602 13.627 0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.762 13.394 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.522 12.050 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.674 12.585 2.038 1.00 0.00 H new ATOM 117 N LYS A 8 -10.952 17.237 1.755 1.00 0.00 N ATOM 118 CA LYS A 8 -10.287 18.428 1.285 1.00 0.00 C ATOM 119 C LYS A 8 -9.819 18.185 -0.136 1.00 0.00 C ATOM 120 O LYS A 8 -10.530 18.596 -1.053 1.00 0.00 O ATOM 121 CB LYS A 8 -9.213 18.958 2.224 1.00 0.00 C ATOM 122 CG LYS A 8 -9.713 19.350 3.618 1.00 0.00 C ATOM 123 CD LYS A 8 -8.513 19.735 4.487 1.00 0.00 C ATOM 124 CE LYS A 8 -8.969 20.341 5.813 1.00 0.00 C ATOM 125 NZ LYS A 8 -7.825 20.572 6.712 1.00 0.00 N ATOM 0 H LYS A 8 -11.960 17.377 1.819 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.002 19.251 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.438 18.199 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.745 19.828 1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.410 20.185 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.255 18.520 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.900 18.854 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.887 20.450 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.486 21.283 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.685 19.674 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.163 20.984 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.348 19.668 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.155 21.227 6.260 1.00 0.00 H new ATOM 139 N THR A 9 -8.682 17.523 -0.325 1.00 0.00 N ATOM 140 CA THR A 9 -8.135 17.219 -1.633 1.00 0.00 C ATOM 141 C THR A 9 -7.740 15.744 -1.699 1.00 0.00 C ATOM 142 O THR A 9 -6.566 15.414 -1.498 1.00 0.00 O ATOM 143 CB THR A 9 -6.967 18.167 -1.942 1.00 0.00 C ATOM 144 OG1 THR A 9 -5.918 18.052 -0.994 1.00 0.00 O ATOM 145 CG2 THR A 9 -7.425 19.626 -1.903 1.00 0.00 C ATOM 0 H THR A 9 -8.108 17.178 0.444 1.00 0.00 H new ATOM 0 HA THR A 9 -8.888 17.381 -2.404 1.00 0.00 H new ATOM 0 HB THR A 9 -6.612 17.884 -2.933 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.736 17.105 -0.821 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.581 20.278 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.208 19.781 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.813 19.859 -0.911 1.00 0.00 H new ATOM 153 N PRO A 10 -8.674 14.815 -1.942 1.00 0.00 N ATOM 154 CA PRO A 10 -8.325 13.416 -2.147 1.00 0.00 C ATOM 155 C PRO A 10 -7.474 13.247 -3.407 1.00 0.00 C ATOM 156 O PRO A 10 -6.766 12.246 -3.526 1.00 0.00 O ATOM 157 CB PRO A 10 -9.646 12.653 -2.214 1.00 0.00 C ATOM 158 CG PRO A 10 -10.643 13.717 -2.653 1.00 0.00 C ATOM 159 CD PRO A 10 -10.101 15.018 -2.068 1.00 0.00 C ATOM 0 HA PRO A 10 -7.712 13.024 -1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.599 11.828 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.913 12.226 -1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.713 13.770 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.644 13.501 -2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.322 15.864 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.555 15.233 -1.101 1.00 0.00 H new ATOM 167 N GLU A 11 -7.472 14.238 -4.304 1.00 0.00 N ATOM 168 CA GLU A 11 -6.619 14.226 -5.475 1.00 0.00 C ATOM 169 C GLU A 11 -5.160 14.330 -5.056 1.00 0.00 C ATOM 170 O GLU A 11 -4.335 13.615 -5.609 1.00 0.00 O ATOM 171 CB GLU A 11 -6.959 15.369 -6.434 1.00 0.00 C ATOM 172 CG GLU A 11 -8.444 15.422 -6.812 1.00 0.00 C ATOM 173 CD GLU A 11 -9.186 16.516 -6.052 1.00 0.00 C ATOM 174 OE1 GLU A 11 -9.154 16.556 -4.800 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.833 17.355 -6.723 1.00 0.00 O ATOM 0 H GLU A 11 -8.064 15.065 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.788 13.284 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.674 16.316 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.364 15.262 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.540 15.596 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.906 14.457 -6.603 1.00 0.00 H new ATOM 182 N LEU A 12 -4.825 15.161 -4.059 1.00 0.00 N ATOM 183 CA LEU A 12 -3.442 15.257 -3.606 1.00 0.00 C ATOM 184 C LEU A 12 -2.994 13.911 -3.063 1.00 0.00 C ATOM 185 O LEU A 12 -1.904 13.465 -3.400 1.00 0.00 O ATOM 186 CB LEU A 12 -3.245 16.324 -2.525 1.00 0.00 C ATOM 187 CG LEU A 12 -1.746 16.463 -2.168 1.00 0.00 C ATOM 188 CD1 LEU A 12 -0.978 17.282 -3.210 1.00 0.00 C ATOM 189 CD2 LEU A 12 -1.601 17.090 -0.794 1.00 0.00 C ATOM 0 H LEU A 12 -5.482 15.763 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.841 15.549 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.632 17.281 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.814 16.057 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.313 15.463 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.070 17.353 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.051 16.794 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.405 18.283 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.544 17.186 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.064 18.077 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.091 16.459 -0.053 1.00 0.00 H new ATOM 201 N ALA A 13 -3.832 13.240 -2.272 1.00 0.00 N ATOM 202 CA ALA A 13 -3.516 11.910 -1.774 1.00 0.00 C ATOM 203 C ALA A 13 -3.288 10.939 -2.936 1.00 0.00 C ATOM 204 O ALA A 13 -2.447 10.048 -2.832 1.00 0.00 O ATOM 205 CB ALA A 13 -4.627 11.432 -0.847 1.00 0.00 C ATOM 0 H ALA A 13 -4.735 13.601 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.589 11.949 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.387 10.436 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.721 12.120 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.569 11.398 -1.395 1.00 0.00 H new ATOM 211 N ALA A 14 -3.989 11.115 -4.058 1.00 0.00 N ATOM 212 CA ALA A 14 -3.766 10.338 -5.267 1.00 0.00 C ATOM 213 C ALA A 14 -2.506 10.781 -6.039 1.00 0.00 C ATOM 214 O ALA A 14 -1.991 9.980 -6.824 1.00 0.00 O ATOM 215 CB ALA A 14 -5.011 10.385 -6.151 1.00 0.00 C ATOM 0 H ALA A 14 -4.732 11.808 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.583 9.306 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.838 9.801 -7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.859 9.969 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.226 11.419 -6.422 1.00 0.00 H new ATOM 221 N LYS A 15 -1.977 12.003 -5.852 1.00 0.00 N ATOM 222 CA LYS A 15 -0.700 12.400 -6.473 1.00 0.00 C ATOM 223 C LYS A 15 0.431 11.880 -5.603 1.00 0.00 C ATOM 224 O LYS A 15 1.409 11.339 -6.103 1.00 0.00 O ATOM 225 CB LYS A 15 -0.578 13.920 -6.658 1.00 0.00 C ATOM 226 CG LYS A 15 -1.115 14.380 -8.018 1.00 0.00 C ATOM 227 CD LYS A 15 -2.643 14.347 -8.107 1.00 0.00 C ATOM 228 CE LYS A 15 -3.104 15.011 -9.401 1.00 0.00 C ATOM 229 NZ LYS A 15 -3.190 16.474 -9.252 1.00 0.00 N ATOM 0 H LYS A 15 -2.410 12.728 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.652 11.968 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.125 14.427 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.467 14.214 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.768 15.395 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.698 13.744 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.996 13.316 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.077 14.862 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.410 14.766 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.078 14.615 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.506 16.896 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.870 16.707 -8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.254 16.853 -9.002 1.00 0.00 H new ATOM 243 N LEU A 16 0.271 11.991 -4.290 1.00 0.00 N ATOM 244 CA LEU A 16 1.158 11.439 -3.288 1.00 0.00 C ATOM 245 C LEU A 16 1.250 9.929 -3.528 1.00 0.00 C ATOM 246 O LEU A 16 2.336 9.358 -3.542 1.00 0.00 O ATOM 247 CB LEU A 16 0.546 11.787 -1.924 1.00 0.00 C ATOM 248 CG LEU A 16 1.157 11.044 -0.734 1.00 0.00 C ATOM 249 CD1 LEU A 16 2.628 11.418 -0.569 1.00 0.00 C ATOM 250 CD2 LEU A 16 0.334 11.393 0.513 1.00 0.00 C ATOM 0 H LEU A 16 -0.518 12.492 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 16 2.170 11.841 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.652 12.859 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.522 11.574 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 16 1.126 9.966 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.047 10.881 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.175 11.150 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.714 12.491 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.748 10.876 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.369 12.469 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.700 11.082 0.365 1.00 0.00 H new ATOM 262 N ALA A 17 0.109 9.283 -3.781 1.00 0.00 N ATOM 263 CA ALA A 17 0.069 7.885 -4.146 1.00 0.00 C ATOM 264 C ALA A 17 0.722 7.607 -5.493 1.00 0.00 C ATOM 265 O ALA A 17 1.087 6.461 -5.692 1.00 0.00 O ATOM 266 CB ALA A 17 -1.362 7.365 -4.199 1.00 0.00 C ATOM 0 H ALA A 17 -0.809 9.725 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 17 0.632 7.368 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.356 6.311 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.827 7.480 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.928 7.932 -4.939 1.00 0.00 H new ATOM 272 N ALA A 18 0.852 8.568 -6.416 1.00 0.00 N ATOM 273 CA ALA A 18 1.584 8.361 -7.662 1.00 0.00 C ATOM 274 C ALA A 18 3.077 8.247 -7.352 1.00 0.00 C ATOM 275 O ALA A 18 3.718 7.311 -7.813 1.00 0.00 O ATOM 276 CB ALA A 18 1.313 9.476 -8.679 1.00 0.00 C ATOM 0 H ALA A 18 0.455 9.502 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 18 1.236 7.435 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.878 9.282 -9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.248 9.506 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.620 10.434 -8.259 1.00 0.00 H new ATOM 282 N GLU A 19 3.609 9.144 -6.516 1.00 0.00 N ATOM 283 CA GLU A 19 4.997 9.083 -6.052 1.00 0.00 C ATOM 284 C GLU A 19 5.261 7.755 -5.335 1.00 0.00 C ATOM 285 O GLU A 19 6.324 7.154 -5.493 1.00 0.00 O ATOM 286 CB GLU A 19 5.295 10.242 -5.087 1.00 0.00 C ATOM 287 CG GLU A 19 5.031 11.648 -5.628 1.00 0.00 C ATOM 288 CD GLU A 19 6.021 12.082 -6.701 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.913 11.625 -7.855 1.00 0.00 O ATOM 290 OE2 GLU A 19 6.782 13.047 -6.444 1.00 0.00 O ATOM 0 H GLU A 19 3.086 9.936 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 19 5.647 9.163 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.697 10.102 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.341 10.180 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.022 11.687 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.067 12.359 -4.803 1.00 0.00 H new ATOM 297 N ALA A 20 4.282 7.292 -4.551 1.00 0.00 N ATOM 298 CA ALA A 20 4.331 6.016 -3.865 1.00 0.00 C ATOM 299 C ALA A 20 4.310 4.870 -4.871 1.00 0.00 C ATOM 300 O ALA A 20 5.144 3.981 -4.789 1.00 0.00 O ATOM 301 CB ALA A 20 3.156 5.916 -2.888 1.00 0.00 C ATOM 0 H ALA A 20 3.421 7.811 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 20 5.261 5.944 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.193 4.957 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.220 6.723 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.218 5.997 -3.437 1.00 0.00 H new ATOM 307 N ILE A 21 3.375 4.893 -5.819 1.00 0.00 N ATOM 308 CA ILE A 21 3.211 3.916 -6.890 1.00 0.00 C ATOM 309 C ILE A 21 4.464 3.831 -7.752 1.00 0.00 C ATOM 310 O ILE A 21 4.732 2.776 -8.326 1.00 0.00 O ATOM 311 CB ILE A 21 1.935 4.288 -7.700 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.711 3.662 -7.003 1.00 0.00 C ATOM 313 CG2 ILE A 21 1.965 3.938 -9.192 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.655 4.165 -7.492 1.00 0.00 C ATOM 0 H ILE A 21 2.675 5.634 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 21 3.076 2.916 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 21 1.879 5.377 -7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.751 2.581 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.787 3.852 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.026 4.241 -9.656 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.792 4.461 -9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.097 2.863 -9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.448 3.662 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.726 5.241 -7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.763 3.950 -8.555 1.00 0.00 H new ATOM 326 N GLU A 22 5.225 4.912 -7.889 1.00 0.00 N ATOM 327 CA GLU A 22 6.355 4.866 -8.791 1.00 0.00 C ATOM 328 C GLU A 22 7.525 4.219 -8.036 1.00 0.00 C ATOM 329 O GLU A 22 8.395 3.615 -8.662 1.00 0.00 O ATOM 330 CB GLU A 22 6.622 6.277 -9.329 1.00 0.00 C ATOM 331 CG GLU A 22 7.775 6.314 -10.343 1.00 0.00 C ATOM 332 CD GLU A 22 7.422 5.518 -11.617 1.00 0.00 C ATOM 333 OE1 GLU A 22 6.236 5.150 -11.837 1.00 0.00 O ATOM 334 OE2 GLU A 22 8.332 5.254 -12.430 1.00 0.00 O ATOM 0 H GLU A 22 5.083 5.798 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 22 6.176 4.253 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.717 6.660 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.854 6.941 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.998 7.348 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.675 5.899 -9.890 1.00 0.00 H new ATOM 341 N ARG A 23 7.544 4.284 -6.696 1.00 0.00 N ATOM 342 CA ARG A 23 8.536 3.591 -5.878 1.00 0.00 C ATOM 343 C ARG A 23 8.093 2.161 -5.567 1.00 0.00 C ATOM 344 O ARG A 23 8.946 1.291 -5.370 1.00 0.00 O ATOM 345 CB ARG A 23 8.800 4.376 -4.579 1.00 0.00 C ATOM 346 CG ARG A 23 10.253 4.145 -4.145 1.00 0.00 C ATOM 347 CD ARG A 23 10.649 4.946 -2.900 1.00 0.00 C ATOM 348 NE ARG A 23 12.079 4.749 -2.595 1.00 0.00 N ATOM 349 CZ ARG A 23 12.635 3.641 -2.087 1.00 0.00 C ATOM 350 NH1 ARG A 23 11.881 2.603 -1.730 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.949 3.566 -1.936 1.00 0.00 N ATOM 0 H ARG A 23 6.868 4.821 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 23 9.465 3.534 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.619 5.439 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.116 4.049 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.401 3.083 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.917 4.412 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.448 6.005 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.043 4.633 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 23 12.704 5.531 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.868 2.646 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.316 1.765 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.539 4.353 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.371 2.722 -1.549 1.00 0.00 H new ATOM 365 N ASP A 24 6.791 1.901 -5.505 1.00 0.00 N ATOM 366 CA ASP A 24 6.216 0.627 -5.108 1.00 0.00 C ATOM 367 C ASP A 24 5.524 -0.024 -6.301 1.00 0.00 C ATOM 368 O ASP A 24 4.346 0.259 -6.552 1.00 0.00 O ATOM 369 CB ASP A 24 5.220 0.778 -3.948 1.00 0.00 C ATOM 370 CG ASP A 24 4.753 -0.595 -3.462 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.374 -1.616 -3.837 1.00 0.00 O ATOM 372 OD2 ASP A 24 3.778 -0.665 -2.683 1.00 0.00 O ATOM 0 H ASP A 24 6.085 2.599 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 24 7.032 -0.007 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.688 1.321 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.362 1.367 -4.272 1.00 0.00 H new ATOM 377 N PRO A 25 6.196 -0.922 -7.041 1.00 0.00 N ATOM 378 CA PRO A 25 5.537 -1.644 -8.108 1.00 0.00 C ATOM 379 C PRO A 25 4.392 -2.515 -7.586 1.00 0.00 C ATOM 380 O PRO A 25 3.535 -2.862 -8.391 1.00 0.00 O ATOM 381 CB PRO A 25 6.611 -2.435 -8.846 1.00 0.00 C ATOM 382 CG PRO A 25 7.734 -2.552 -7.826 1.00 0.00 C ATOM 383 CD PRO A 25 7.586 -1.323 -6.931 1.00 0.00 C ATOM 0 HA PRO A 25 5.056 -0.956 -8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.246 -3.415 -9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.941 -1.919 -9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.649 -3.473 -7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.709 -2.570 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.845 -1.557 -5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.251 -0.522 -7.253 1.00 0.00 H new ATOM 391 N TRP A 26 4.307 -2.858 -6.292 1.00 0.00 N ATOM 392 CA TRP A 26 3.137 -3.569 -5.791 1.00 0.00 C ATOM 393 C TRP A 26 1.962 -2.590 -5.778 1.00 0.00 C ATOM 394 O TRP A 26 0.900 -2.926 -6.299 1.00 0.00 O ATOM 395 CB TRP A 26 3.389 -4.195 -4.415 1.00 0.00 C ATOM 396 CG TRP A 26 2.189 -4.867 -3.825 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.582 -4.502 -2.678 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.432 -6.002 -4.328 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.459 -5.279 -2.467 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.326 -6.236 -3.459 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.600 -6.887 -5.411 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.586 -7.279 -3.688 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.772 -8.013 -5.573 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.346 -8.185 -4.739 1.00 0.00 C ATOM 0 H TRP A 26 5.021 -2.657 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 26 2.905 -4.408 -6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.196 -4.923 -4.500 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.731 -3.419 -3.731 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.924 -3.717 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.186 -5.163 -1.685 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.381 -6.697 -6.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.462 -7.385 -3.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.995 -8.743 -6.337 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.021 -9.012 -4.904 1.00 0.00 H new ATOM 415 N ALA A 27 2.133 -1.359 -5.277 1.00 0.00 N ATOM 416 CA ALA A 27 1.082 -0.349 -5.359 1.00 0.00 C ATOM 417 C ALA A 27 0.682 -0.093 -6.818 1.00 0.00 C ATOM 418 O ALA A 27 -0.508 0.073 -7.106 1.00 0.00 O ATOM 419 CB ALA A 27 1.545 0.964 -4.726 1.00 0.00 C ATOM 0 H ALA A 27 2.986 -1.045 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 27 0.218 -0.727 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.747 1.703 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.791 0.796 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.427 1.330 -5.251 1.00 0.00 H new ATOM 425 N ALA A 28 1.663 -0.042 -7.728 1.00 0.00 N ATOM 426 CA ALA A 28 1.439 0.149 -9.155 1.00 0.00 C ATOM 427 C ALA A 28 0.602 -0.996 -9.709 1.00 0.00 C ATOM 428 O ALA A 28 -0.361 -0.765 -10.445 1.00 0.00 O ATOM 429 CB ALA A 28 2.774 0.213 -9.907 1.00 0.00 C ATOM 0 H ALA A 28 2.649 -0.134 -7.483 1.00 0.00 H new ATOM 0 HA ALA A 28 0.908 1.091 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.586 0.356 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.366 1.046 -9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.321 -0.718 -9.757 1.00 0.00 H new ATOM 435 N GLN A 29 0.983 -2.222 -9.359 1.00 0.00 N ATOM 436 CA GLN A 29 0.334 -3.438 -9.793 1.00 0.00 C ATOM 437 C GLN A 29 -1.086 -3.474 -9.271 1.00 0.00 C ATOM 438 O GLN A 29 -1.979 -3.716 -10.066 1.00 0.00 O ATOM 439 CB GLN A 29 1.129 -4.663 -9.336 1.00 0.00 C ATOM 440 CG GLN A 29 2.268 -4.946 -10.327 1.00 0.00 C ATOM 441 CD GLN A 29 3.211 -6.034 -9.831 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.144 -6.495 -8.694 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.097 -6.502 -10.686 1.00 0.00 N ATOM 0 H GLN A 29 1.779 -2.393 -8.745 1.00 0.00 H new ATOM 0 HA GLN A 29 0.299 -3.458 -10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.536 -4.492 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.471 -5.529 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.846 -5.245 -11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.833 -4.030 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.149 -6.116 -11.629 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.731 -7.250 -10.405 1.00 0.00 H new ATOM 452 N VAL A 30 -1.349 -3.186 -7.997 1.00 0.00 N ATOM 453 CA VAL A 30 -2.707 -3.233 -7.458 1.00 0.00 C ATOM 454 C VAL A 30 -3.629 -2.305 -8.257 1.00 0.00 C ATOM 455 O VAL A 30 -4.778 -2.669 -8.520 1.00 0.00 O ATOM 456 CB VAL A 30 -2.678 -2.934 -5.940 1.00 0.00 C ATOM 457 CG1 VAL A 30 -4.076 -2.753 -5.327 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.995 -4.079 -5.177 1.00 0.00 C ATOM 0 H VAL A 30 -0.637 -2.917 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.124 -4.234 -7.568 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.127 -1.999 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.982 -2.546 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.582 -1.920 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.657 -3.664 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.984 -3.851 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.544 -5.006 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.971 -4.194 -5.534 1.00 0.00 H new ATOM 468 N SER A 31 -3.113 -1.166 -8.727 1.00 0.00 N ATOM 469 CA SER A 31 -3.870 -0.256 -9.567 1.00 0.00 C ATOM 470 C SER A 31 -4.197 -0.884 -10.928 1.00 0.00 C ATOM 471 O SER A 31 -5.287 -0.661 -11.453 1.00 0.00 O ATOM 472 CB SER A 31 -3.093 1.071 -9.670 1.00 0.00 C ATOM 473 OG SER A 31 -3.850 2.128 -10.238 1.00 0.00 O ATOM 0 H SER A 31 -2.161 -0.856 -8.532 1.00 0.00 H new ATOM 0 HA SER A 31 -4.841 -0.047 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.761 1.367 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.197 0.913 -10.271 1.00 0.00 H new ATOM 0 HG SER A 31 -3.302 2.940 -10.274 1.00 0.00 H new ATOM 479 N GLN A 32 -3.304 -1.706 -11.483 1.00 0.00 N ATOM 480 CA GLN A 32 -3.527 -2.437 -12.728 1.00 0.00 C ATOM 481 C GLN A 32 -4.474 -3.620 -12.500 1.00 0.00 C ATOM 482 O GLN A 32 -5.336 -3.921 -13.328 1.00 0.00 O ATOM 483 CB GLN A 32 -2.165 -2.892 -13.282 1.00 0.00 C ATOM 484 CG GLN A 32 -2.291 -3.764 -14.536 1.00 0.00 C ATOM 485 CD GLN A 32 -0.927 -3.999 -15.180 1.00 0.00 C ATOM 486 OE1 GLN A 32 -0.300 -3.065 -15.672 1.00 0.00 O ATOM 487 NE2 GLN A 32 -0.445 -5.229 -15.224 1.00 0.00 N ATOM 0 H GLN A 32 -2.388 -1.884 -11.070 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.007 -1.788 -13.461 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.562 -2.014 -13.515 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.633 -3.449 -12.511 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.743 -4.721 -14.274 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.957 -3.283 -15.252 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.973 -5.999 -14.813 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.455 -5.408 -15.669 1.00 0.00 H new ATOM 496 N LEU A 33 -4.324 -4.304 -11.365 1.00 0.00 N ATOM 497 CA LEU A 33 -5.053 -5.525 -11.048 1.00 0.00 C ATOM 498 C LEU A 33 -6.509 -5.229 -10.712 1.00 0.00 C ATOM 499 O LEU A 33 -7.332 -6.145 -10.770 1.00 0.00 O ATOM 500 CB LEU A 33 -4.381 -6.274 -9.881 1.00 0.00 C ATOM 501 CG LEU A 33 -2.959 -6.819 -10.126 1.00 0.00 C ATOM 502 CD1 LEU A 33 -2.621 -7.949 -9.145 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.723 -7.273 -11.566 1.00 0.00 C ATOM 0 H LEU A 33 -3.679 -4.016 -10.629 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.030 -6.161 -11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.343 -5.602 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.021 -7.111 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.285 -5.981 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.613 -8.313 -9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.678 -7.573 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.332 -8.765 -9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.703 -7.645 -11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.426 -8.068 -11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.871 -6.431 -12.242 1.00 0.00 H new ATOM 515 N SER A 34 -6.806 -3.965 -10.403 1.00 0.00 N ATOM 516 CA SER A 34 -8.101 -3.424 -10.017 1.00 0.00 C ATOM 517 C SER A 34 -8.873 -4.401 -9.134 1.00 0.00 C ATOM 518 O SER A 34 -9.861 -5.015 -9.545 1.00 0.00 O ATOM 519 CB SER A 34 -8.894 -2.989 -11.250 1.00 0.00 C ATOM 520 OG SER A 34 -8.307 -1.858 -11.868 1.00 0.00 O ATOM 0 H SER A 34 -6.088 -3.241 -10.419 1.00 0.00 H new ATOM 0 HA SER A 34 -7.936 -2.532 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.941 -3.812 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.919 -2.757 -10.962 1.00 0.00 H new ATOM 0 HG SER A 34 -7.389 -1.747 -11.543 1.00 0.00 H new ATOM 526 N LEU A 35 -8.377 -4.596 -7.914 1.00 0.00 N ATOM 527 CA LEU A 35 -9.078 -5.393 -6.913 1.00 0.00 C ATOM 528 C LEU A 35 -10.355 -4.605 -6.578 1.00 0.00 C ATOM 529 O LEU A 35 -10.275 -3.379 -6.535 1.00 0.00 O ATOM 530 CB LEU A 35 -8.158 -5.617 -5.703 1.00 0.00 C ATOM 531 CG LEU A 35 -7.184 -6.808 -5.852 1.00 0.00 C ATOM 532 CD1 LEU A 35 -6.466 -6.894 -7.201 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.097 -6.713 -4.779 1.00 0.00 C ATOM 0 H LEU A 35 -7.488 -4.210 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.349 -6.389 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.579 -4.710 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.774 -5.776 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.811 -7.694 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.806 -7.761 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.202 -6.992 -7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.878 -5.990 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.409 -7.552 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.549 -5.778 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.557 -6.741 -3.791 1.00 0.00 H new ATOM 545 N PRO A 36 -11.511 -5.247 -6.311 1.00 0.00 N ATOM 546 CA PRO A 36 -12.799 -4.571 -6.117 1.00 0.00 C ATOM 547 C PRO A 36 -12.693 -3.412 -5.121 1.00 0.00 C ATOM 548 O PRO A 36 -12.725 -2.249 -5.528 1.00 0.00 O ATOM 549 CB PRO A 36 -13.813 -5.667 -5.750 1.00 0.00 C ATOM 550 CG PRO A 36 -12.946 -6.869 -5.383 1.00 0.00 C ATOM 551 CD PRO A 36 -11.705 -6.683 -6.250 1.00 0.00 C ATOM 0 HA PRO A 36 -13.143 -4.072 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.445 -5.362 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.475 -5.893 -6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.698 -6.877 -4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.451 -7.810 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.839 -7.182 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.849 -7.106 -7.244 1.00 0.00 H new ATOM 559 N LYS A 37 -12.618 -3.712 -3.825 1.00 0.00 N ATOM 560 CA LYS A 37 -12.371 -2.751 -2.751 1.00 0.00 C ATOM 561 C LYS A 37 -12.070 -3.520 -1.478 1.00 0.00 C ATOM 562 O LYS A 37 -11.046 -3.277 -0.860 1.00 0.00 O ATOM 563 CB LYS A 37 -13.478 -1.700 -2.534 1.00 0.00 C ATOM 564 CG LYS A 37 -12.821 -0.447 -1.922 1.00 0.00 C ATOM 565 CD LYS A 37 -13.707 0.801 -1.946 1.00 0.00 C ATOM 566 CE LYS A 37 -14.815 0.737 -0.894 1.00 0.00 C ATOM 567 NZ LYS A 37 -15.709 1.910 -0.976 1.00 0.00 N ATOM 0 H LYS A 37 -12.732 -4.666 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.514 -2.151 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.963 -1.455 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.250 -2.089 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.544 -0.663 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.898 -0.234 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.093 1.685 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.152 0.911 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.396 -0.175 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.371 0.685 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.449 1.834 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.158 2.778 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.151 1.945 -1.917 1.00 0.00 H new ATOM 581 N LEU A 38 -12.870 -4.545 -1.174 1.00 0.00 N ATOM 582 CA LEU A 38 -12.647 -5.458 -0.056 1.00 0.00 C ATOM 583 C LEU A 38 -11.274 -6.097 -0.203 1.00 0.00 C ATOM 584 O LEU A 38 -10.434 -6.046 0.690 1.00 0.00 O ATOM 585 CB LEU A 38 -13.782 -6.502 -0.040 1.00 0.00 C ATOM 586 CG LEU A 38 -13.748 -7.564 1.082 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.783 -8.726 0.825 1.00 0.00 C ATOM 588 CD2 LEU A 38 -13.463 -6.940 2.449 1.00 0.00 C ATOM 0 H LEU A 38 -13.708 -4.766 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.662 -4.930 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.730 -5.969 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.776 -7.022 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.751 -7.990 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.823 -9.424 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.070 -9.241 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.769 -8.341 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.448 -7.721 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.496 -6.438 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.242 -6.216 2.688 1.00 0.00 H new ATOM 600 N VAL A 39 -11.044 -6.678 -1.373 1.00 0.00 N ATOM 601 CA VAL A 39 -9.798 -7.362 -1.683 1.00 0.00 C ATOM 602 C VAL A 39 -8.676 -6.330 -1.846 1.00 0.00 C ATOM 603 O VAL A 39 -7.526 -6.617 -1.516 1.00 0.00 O ATOM 604 CB VAL A 39 -9.991 -8.246 -2.932 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.793 -9.177 -3.162 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.265 -9.100 -2.812 1.00 0.00 C ATOM 0 H VAL A 39 -11.720 -6.687 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.508 -8.024 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.080 -7.569 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.968 -9.783 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.891 -8.581 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.668 -9.829 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.377 -9.714 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.190 -9.745 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.132 -8.448 -2.709 1.00 0.00 H new ATOM 616 N GLU A 40 -8.991 -5.112 -2.301 1.00 0.00 N ATOM 617 CA GLU A 40 -8.000 -4.049 -2.384 1.00 0.00 C ATOM 618 C GLU A 40 -7.551 -3.709 -0.958 1.00 0.00 C ATOM 619 O GLU A 40 -6.361 -3.551 -0.744 1.00 0.00 O ATOM 620 CB GLU A 40 -8.558 -2.837 -3.148 1.00 0.00 C ATOM 621 CG GLU A 40 -7.531 -1.710 -3.286 1.00 0.00 C ATOM 622 CD GLU A 40 -8.052 -0.546 -4.131 1.00 0.00 C ATOM 623 OE1 GLU A 40 -7.963 -0.600 -5.377 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.514 0.470 -3.555 1.00 0.00 O ATOM 0 H GLU A 40 -9.924 -4.845 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.129 -4.374 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.881 -3.154 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.440 -2.460 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.262 -1.344 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.621 -2.105 -3.738 1.00 0.00 H new ATOM 631 N GLN A 41 -8.451 -3.707 0.034 1.00 0.00 N ATOM 632 CA GLN A 41 -8.147 -3.442 1.436 1.00 0.00 C ATOM 633 C GLN A 41 -7.124 -4.451 1.975 1.00 0.00 C ATOM 634 O GLN A 41 -6.337 -4.106 2.854 1.00 0.00 O ATOM 635 CB GLN A 41 -9.442 -3.476 2.274 1.00 0.00 C ATOM 636 CG GLN A 41 -9.389 -2.524 3.478 1.00 0.00 C ATOM 637 CD GLN A 41 -10.676 -2.510 4.310 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.616 -2.332 5.526 1.00 0.00 O ATOM 639 NE2 GLN A 41 -11.848 -2.674 3.709 1.00 0.00 N ATOM 0 H GLN A 41 -9.440 -3.896 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.707 -2.448 1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.288 -3.209 1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.616 -4.493 2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.555 -2.810 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.186 -1.514 3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.888 -2.821 2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.709 -2.653 4.256 1.00 0.00 H new ATOM 648 N VAL A 42 -7.116 -5.683 1.457 1.00 0.00 N ATOM 649 CA VAL A 42 -6.118 -6.692 1.793 1.00 0.00 C ATOM 650 C VAL A 42 -4.792 -6.293 1.166 1.00 0.00 C ATOM 651 O VAL A 42 -3.814 -6.127 1.890 1.00 0.00 O ATOM 652 CB VAL A 42 -6.602 -8.091 1.361 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.539 -9.199 1.422 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.754 -8.475 2.283 1.00 0.00 C ATOM 0 H VAL A 42 -7.812 -6.007 0.785 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.971 -6.747 2.872 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.886 -8.016 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.978 -10.143 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.708 -8.942 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.176 -9.299 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.126 -9.462 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.404 -8.493 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.557 -7.745 2.185 1.00 0.00 H new ATOM 664 N ALA A 43 -4.749 -6.112 -0.157 1.00 0.00 N ATOM 665 CA ALA A 43 -3.519 -5.753 -0.847 1.00 0.00 C ATOM 666 C ALA A 43 -2.927 -4.439 -0.320 1.00 0.00 C ATOM 667 O ALA A 43 -1.711 -4.292 -0.317 1.00 0.00 O ATOM 668 CB ALA A 43 -3.780 -5.674 -2.349 1.00 0.00 C ATOM 0 H ALA A 43 -5.559 -6.210 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.779 -6.529 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.858 -5.405 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.128 -6.642 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.540 -4.918 -2.547 1.00 0.00 H new ATOM 674 N LEU A 44 -3.778 -3.517 0.140 1.00 0.00 N ATOM 675 CA LEU A 44 -3.470 -2.237 0.763 1.00 0.00 C ATOM 676 C LEU A 44 -2.825 -2.409 2.124 1.00 0.00 C ATOM 677 O LEU A 44 -1.929 -1.628 2.462 1.00 0.00 O ATOM 678 CB LEU A 44 -4.745 -1.389 0.912 1.00 0.00 C ATOM 679 CG LEU A 44 -5.120 -0.571 -0.339 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.455 0.135 -0.063 1.00 0.00 C ATOM 681 CD2 LEU A 44 -4.069 0.478 -0.734 1.00 0.00 C ATOM 0 H LEU A 44 -4.785 -3.665 0.078 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.761 -1.728 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.577 -2.048 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.615 -0.706 1.752 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.186 -1.267 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.743 0.722 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.224 -0.609 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.347 0.794 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.404 1.012 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.934 1.185 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.121 -0.018 -0.945 1.00 0.00 H new ATOM 693 N ASN A 45 -3.271 -3.392 2.912 1.00 0.00 N ATOM 694 CA ASN A 45 -2.810 -3.564 4.287 1.00 0.00 C ATOM 695 C ASN A 45 -1.856 -4.740 4.418 1.00 0.00 C ATOM 696 O ASN A 45 -1.624 -5.230 5.525 1.00 0.00 O ATOM 697 CB ASN A 45 -4.000 -3.585 5.251 1.00 0.00 C ATOM 698 CG ASN A 45 -4.630 -2.201 5.274 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.021 -1.251 5.760 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.794 -2.024 4.676 1.00 0.00 N ATOM 0 H ASN A 45 -3.957 -4.085 2.614 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.211 -2.701 4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.731 -4.328 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.672 -3.868 6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.198 -1.090 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.289 -2.822 4.277 1.00 0.00 H new ATOM 707 N ALA A 46 -1.274 -5.168 3.297 1.00 0.00 N ATOM 708 CA ALA A 46 -0.249 -6.180 3.241 1.00 0.00 C ATOM 709 C ALA A 46 0.888 -5.709 2.351 1.00 0.00 C ATOM 710 O ALA A 46 0.696 -4.860 1.485 1.00 0.00 O ATOM 711 CB ALA A 46 -0.841 -7.479 2.686 1.00 0.00 C ATOM 0 H ALA A 46 -1.520 -4.799 2.378 1.00 0.00 H new ATOM 0 HA ALA A 46 0.136 -6.361 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.065 -8.244 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.649 -7.817 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.231 -7.302 1.684 1.00 0.00 H new ATOM 717 N TRP A 47 2.071 -6.268 2.561 1.00 0.00 N ATOM 718 CA TRP A 47 3.237 -6.045 1.723 1.00 0.00 C ATOM 719 C TRP A 47 3.525 -7.389 1.066 1.00 0.00 C ATOM 720 O TRP A 47 3.391 -8.448 1.690 1.00 0.00 O ATOM 721 CB TRP A 47 4.398 -5.449 2.518 1.00 0.00 C ATOM 722 CG TRP A 47 4.856 -6.195 3.732 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.375 -6.027 4.984 1.00 0.00 C ATOM 724 CD2 TRP A 47 5.914 -7.196 3.842 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.099 -6.801 5.862 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.073 -7.531 5.218 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.751 -7.864 2.924 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.019 -8.464 5.658 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.710 -8.798 3.354 1.00 0.00 C ATOM 730 CH2 TRP A 47 7.837 -9.106 4.717 1.00 0.00 C ATOM 0 H TRP A 47 2.249 -6.904 3.338 1.00 0.00 H new ATOM 0 HA TRP A 47 3.067 -5.295 0.950 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.249 -5.346 1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.113 -4.444 2.828 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.550 -5.385 5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.934 -6.830 6.868 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.653 -7.654 1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.118 -8.687 6.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.352 -9.281 2.632 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.564 -9.836 5.041 1.00 0.00 H new ATOM 741 N LYS A 48 3.810 -7.371 -0.230 1.00 0.00 N ATOM 742 CA LYS A 48 3.970 -8.577 -1.017 1.00 0.00 C ATOM 743 C LYS A 48 5.379 -9.124 -0.886 1.00 0.00 C ATOM 744 O LYS A 48 6.327 -8.477 -1.332 1.00 0.00 O ATOM 745 CB LYS A 48 3.652 -8.244 -2.489 1.00 0.00 C ATOM 746 CG LYS A 48 3.771 -9.471 -3.406 1.00 0.00 C ATOM 747 CD LYS A 48 4.185 -9.213 -4.860 1.00 0.00 C ATOM 748 CE LYS A 48 5.554 -8.537 -4.981 1.00 0.00 C ATOM 749 NZ LYS A 48 6.090 -8.523 -6.360 1.00 0.00 N ATOM 0 H LYS A 48 3.937 -6.511 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 48 3.287 -9.345 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.642 -7.839 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.331 -7.466 -2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.494 -10.156 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.809 -9.984 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.204 -10.160 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.433 -8.587 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.476 -7.511 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.262 -9.051 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.806 -7.774 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.525 -9.444 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.317 -8.342 -7.031 1.00 0.00 H new ATOM 763 N GLU A 49 5.516 -10.299 -0.284 1.00 0.00 N ATOM 764 CA GLU A 49 6.780 -10.998 -0.228 1.00 0.00 C ATOM 765 C GLU A 49 6.632 -11.999 -1.368 1.00 0.00 C ATOM 766 O GLU A 49 5.924 -12.998 -1.251 1.00 0.00 O ATOM 767 CB GLU A 49 7.027 -11.661 1.124 1.00 0.00 C ATOM 768 CG GLU A 49 8.471 -12.167 1.182 1.00 0.00 C ATOM 769 CD GLU A 49 8.801 -12.803 2.528 1.00 0.00 C ATOM 770 OE1 GLU A 49 8.205 -13.858 2.848 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.679 -12.265 3.248 1.00 0.00 O ATOM 0 H GLU A 49 4.749 -10.789 0.177 1.00 0.00 H new ATOM 0 HA GLU A 49 7.648 -10.347 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.846 -10.949 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.333 -12.489 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.632 -12.896 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.153 -11.338 0.996 1.00 0.00 H new ATOM 778 N GLU A 50 7.173 -11.659 -2.529 1.00 0.00 N ATOM 779 CA GLU A 50 7.196 -12.560 -3.665 1.00 0.00 C ATOM 780 C GLU A 50 8.382 -13.485 -3.433 1.00 0.00 C ATOM 781 O GLU A 50 9.541 -13.059 -3.465 1.00 0.00 O ATOM 782 CB GLU A 50 7.252 -11.749 -4.953 1.00 0.00 C ATOM 783 CG GLU A 50 7.476 -12.576 -6.221 1.00 0.00 C ATOM 784 CD GLU A 50 7.997 -11.696 -7.354 1.00 0.00 C ATOM 785 OE1 GLU A 50 7.375 -10.649 -7.657 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.029 -12.075 -7.954 1.00 0.00 O ATOM 0 H GLU A 50 7.606 -10.753 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 50 6.299 -13.172 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.320 -11.194 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.053 -11.014 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.188 -13.376 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.542 -13.050 -6.522 1.00 0.00 H new ATOM 793 N SER A 51 8.064 -14.731 -3.123 1.00 0.00 N ATOM 794 CA SER A 51 8.992 -15.793 -2.815 1.00 0.00 C ATOM 795 C SER A 51 9.581 -16.309 -4.132 1.00 0.00 C ATOM 796 O SER A 51 9.201 -15.849 -5.216 1.00 0.00 O ATOM 797 CB SER A 51 8.236 -16.895 -2.064 1.00 0.00 C ATOM 798 OG SER A 51 7.459 -16.395 -0.982 1.00 0.00 O ATOM 0 H SER A 51 7.093 -15.040 -3.079 1.00 0.00 H new ATOM 0 HA SER A 51 9.808 -15.445 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.583 -17.421 -2.761 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.951 -17.625 -1.684 1.00 0.00 H new ATOM 0 HG SER A 51 6.620 -16.898 -0.922 1.00 0.00 H new ATOM 804 N ASP A 52 10.490 -17.283 -4.036 1.00 0.00 N ATOM 805 CA ASP A 52 11.179 -17.913 -5.162 1.00 0.00 C ATOM 806 C ASP A 52 10.245 -18.177 -6.338 1.00 0.00 C ATOM 807 O ASP A 52 10.585 -17.885 -7.484 1.00 0.00 O ATOM 808 CB ASP A 52 11.809 -19.227 -4.710 1.00 0.00 C ATOM 809 CG ASP A 52 12.732 -19.741 -5.808 1.00 0.00 C ATOM 810 OD1 ASP A 52 13.905 -19.313 -5.794 1.00 0.00 O ATOM 811 OD2 ASP A 52 12.297 -20.521 -6.691 1.00 0.00 O ATOM 0 H ASP A 52 10.776 -17.668 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 52 11.949 -17.220 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.369 -19.077 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.033 -19.962 -4.496 1.00 0.00 H new ATOM 816 N ASN A 53 9.063 -18.728 -6.050 1.00 0.00 N ATOM 817 CA ASN A 53 8.008 -18.916 -7.032 1.00 0.00 C ATOM 818 C ASN A 53 6.672 -19.040 -6.310 1.00 0.00 C ATOM 819 O ASN A 53 5.937 -20.019 -6.467 1.00 0.00 O ATOM 820 CB ASN A 53 8.299 -20.075 -8.000 1.00 0.00 C ATOM 821 CG ASN A 53 8.046 -19.588 -9.417 1.00 0.00 C ATOM 822 OD1 ASN A 53 6.927 -19.254 -9.797 1.00 0.00 O ATOM 823 ND2 ASN A 53 9.097 -19.492 -10.213 1.00 0.00 N ATOM 0 H ASN A 53 8.815 -19.057 -5.117 1.00 0.00 H new ATOM 0 HA ASN A 53 7.961 -18.039 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.331 -20.410 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.661 -20.929 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.987 -19.135 -11.162 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.018 -19.775 -9.878 1.00 0.00 H new ATOM 830 N ALA A 54 6.381 -18.089 -5.426 1.00 0.00 N ATOM 831 CA ALA A 54 5.100 -17.985 -4.751 1.00 0.00 C ATOM 832 C ALA A 54 4.940 -16.521 -4.365 1.00 0.00 C ATOM 833 O ALA A 54 5.867 -15.728 -4.547 1.00 0.00 O ATOM 834 CB ALA A 54 5.091 -18.890 -3.514 1.00 0.00 C ATOM 0 H ALA A 54 7.042 -17.360 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 54 4.275 -18.305 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.128 -18.809 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.255 -19.924 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.884 -18.582 -2.832 1.00 0.00 H new ATOM 840 N VAL A 55 3.788 -16.151 -3.824 1.00 0.00 N ATOM 841 CA VAL A 55 3.579 -14.811 -3.306 1.00 0.00 C ATOM 842 C VAL A 55 2.884 -14.930 -1.958 1.00 0.00 C ATOM 843 O VAL A 55 1.790 -15.470 -1.851 1.00 0.00 O ATOM 844 CB VAL A 55 2.831 -13.937 -4.329 1.00 0.00 C ATOM 845 CG1 VAL A 55 2.659 -12.531 -3.759 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.619 -13.769 -5.641 1.00 0.00 C ATOM 0 H VAL A 55 2.980 -16.767 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 55 4.527 -14.297 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 55 1.881 -14.433 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.130 -11.908 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.086 -12.581 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.639 -12.098 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.050 -13.145 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.578 -13.296 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.787 -14.747 -6.092 1.00 0.00 H new ATOM 856 N CYS A 56 3.520 -14.427 -0.913 1.00 0.00 N ATOM 857 CA CYS A 56 2.966 -14.381 0.422 1.00 0.00 C ATOM 858 C CYS A 56 2.681 -12.915 0.734 1.00 0.00 C ATOM 859 O CYS A 56 3.609 -12.120 0.868 1.00 0.00 O ATOM 860 CB CYS A 56 3.964 -15.011 1.410 1.00 0.00 C ATOM 861 SG CYS A 56 4.558 -16.633 0.826 1.00 0.00 S ATOM 0 H CYS A 56 4.458 -14.031 -0.975 1.00 0.00 H new ATOM 0 HA CYS A 56 2.040 -14.951 0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.812 -14.341 1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.488 -15.127 2.384 1.00 0.00 H new ATOM 0 HG CYS A 56 5.397 -17.124 1.689 1.00 0.00 H new ATOM 867 N LEU A 57 1.414 -12.510 0.796 1.00 0.00 N ATOM 868 CA LEU A 57 1.053 -11.154 1.205 1.00 0.00 C ATOM 869 C LEU A 57 1.095 -11.082 2.725 1.00 0.00 C ATOM 870 O LEU A 57 0.259 -11.673 3.401 1.00 0.00 O ATOM 871 CB LEU A 57 -0.310 -10.741 0.624 1.00 0.00 C ATOM 872 CG LEU A 57 -0.099 -10.037 -0.727 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.387 -10.002 -1.543 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.375 -8.589 -0.555 1.00 0.00 C ATOM 0 H LEU A 57 0.617 -13.104 0.567 1.00 0.00 H new ATOM 0 HA LEU A 57 1.770 -10.437 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.943 -11.619 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.826 -10.076 1.316 1.00 0.00 H new ATOM 0 HG LEU A 57 0.665 -10.616 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.203 -9.498 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.725 -11.021 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.155 -9.463 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.511 -8.132 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.370 -8.027 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.322 -8.578 -0.015 1.00 0.00 H new ATOM 886 N HIS A 58 2.095 -10.398 3.267 1.00 0.00 N ATOM 887 CA HIS A 58 2.258 -10.175 4.698 1.00 0.00 C ATOM 888 C HIS A 58 1.258 -9.109 5.140 1.00 0.00 C ATOM 889 O HIS A 58 1.563 -7.923 5.026 1.00 0.00 O ATOM 890 CB HIS A 58 3.704 -9.737 4.963 1.00 0.00 C ATOM 891 CG HIS A 58 4.721 -10.851 4.930 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.568 -11.206 5.962 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.024 -11.635 3.854 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.367 -12.190 5.523 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.041 -12.483 4.253 1.00 0.00 N ATOM 0 H HIS A 58 2.835 -9.972 2.709 1.00 0.00 H new ATOM 0 HA HIS A 58 2.065 -11.085 5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.983 -8.988 4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.749 -9.253 5.938 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.583 -10.792 6.894 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.559 -11.600 2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.146 -12.669 6.097 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.471 -13.209 3.680 1.00 0.00 H new ATOM 904 N LEU A 59 0.060 -9.504 5.575 1.00 0.00 N ATOM 905 CA LEU A 59 -1.008 -8.605 6.003 1.00 0.00 C ATOM 906 C LEU A 59 -0.851 -8.292 7.481 1.00 0.00 C ATOM 907 O LEU A 59 -0.581 -9.185 8.280 1.00 0.00 O ATOM 908 CB LEU A 59 -2.391 -9.234 5.751 1.00 0.00 C ATOM 909 CG LEU A 59 -3.520 -8.190 5.941 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.401 -8.043 4.707 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.460 -8.514 7.097 1.00 0.00 C ATOM 0 H LEU A 59 -0.199 -10.488 5.640 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.937 -7.685 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.431 -9.638 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.544 -10.069 6.435 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.976 -7.268 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.174 -7.299 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.792 -7.724 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.868 -9.001 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.225 -7.741 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.935 -9.479 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.893 -8.554 8.027 1.00 0.00 H new ATOM 923 N ARG A 60 -1.068 -7.033 7.853 1.00 0.00 N ATOM 924 CA ARG A 60 -0.940 -6.598 9.235 1.00 0.00 C ATOM 925 C ARG A 60 -1.922 -7.333 10.123 1.00 0.00 C ATOM 926 O ARG A 60 -3.128 -7.296 9.872 1.00 0.00 O ATOM 927 CB ARG A 60 -1.119 -5.078 9.327 1.00 0.00 C ATOM 928 CG ARG A 60 0.109 -4.386 8.727 1.00 0.00 C ATOM 929 CD ARG A 60 1.292 -4.425 9.707 1.00 0.00 C ATOM 930 NE ARG A 60 2.560 -4.477 8.983 1.00 0.00 N ATOM 931 CZ ARG A 60 3.118 -3.490 8.291 1.00 0.00 C ATOM 932 NH1 ARG A 60 2.562 -2.286 8.239 1.00 0.00 N ATOM 933 NH2 ARG A 60 4.243 -3.757 7.652 1.00 0.00 N ATOM 0 H ARG A 60 -1.336 -6.291 7.206 1.00 0.00 H new ATOM 0 HA ARG A 60 0.061 -6.841 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.019 -4.773 8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.248 -4.778 10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.388 -4.876 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.134 -3.351 8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.269 -3.544 10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.203 -5.295 10.358 1.00 0.00 H new ATOM 0 HE ARG A 60 3.068 -5.361 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.690 -2.105 8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.007 -1.542 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.649 -4.691 7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.706 -3.029 7.108 1.00 0.00 H new ATOM 947 N SER A 61 -1.423 -7.911 11.213 1.00 0.00 N ATOM 948 CA SER A 61 -2.243 -8.554 12.228 1.00 0.00 C ATOM 949 C SER A 61 -3.277 -7.573 12.796 1.00 0.00 C ATOM 950 O SER A 61 -4.373 -7.978 13.181 1.00 0.00 O ATOM 951 CB SER A 61 -1.343 -9.119 13.329 1.00 0.00 C ATOM 952 OG SER A 61 -0.249 -9.812 12.755 1.00 0.00 O ATOM 0 H SER A 61 -0.424 -7.945 11.416 1.00 0.00 H new ATOM 0 HA SER A 61 -2.795 -9.377 11.775 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.979 -8.310 13.963 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.915 -9.792 13.968 1.00 0.00 H new ATOM 0 HG SER A 61 0.322 -10.169 13.467 1.00 0.00 H new ATOM 958 N SER A 62 -2.986 -6.268 12.734 1.00 0.00 N ATOM 959 CA SER A 62 -3.867 -5.161 13.102 1.00 0.00 C ATOM 960 C SER A 62 -5.226 -5.269 12.405 1.00 0.00 C ATOM 961 O SER A 62 -6.266 -4.905 12.950 1.00 0.00 O ATOM 962 CB SER A 62 -3.186 -3.846 12.681 1.00 0.00 C ATOM 963 OG SER A 62 -1.783 -3.886 12.898 1.00 0.00 O ATOM 0 H SER A 62 -2.077 -5.941 12.407 1.00 0.00 H new ATOM 0 HA SER A 62 -4.040 -5.190 14.178 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.385 -3.655 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.617 -3.017 13.243 1.00 0.00 H new ATOM 0 HG SER A 62 -1.384 -3.036 12.618 1.00 0.00 H new ATOM 969 N GLN A 63 -5.208 -5.812 11.190 1.00 0.00 N ATOM 970 CA GLN A 63 -6.342 -5.929 10.300 1.00 0.00 C ATOM 971 C GLN A 63 -6.489 -7.370 9.827 1.00 0.00 C ATOM 972 O GLN A 63 -7.041 -7.595 8.755 1.00 0.00 O ATOM 973 CB GLN A 63 -6.185 -4.919 9.152 1.00 0.00 C ATOM 974 CG GLN A 63 -6.495 -3.510 9.664 1.00 0.00 C ATOM 975 CD GLN A 63 -6.165 -2.469 8.612 1.00 0.00 C ATOM 976 OE1 GLN A 63 -6.844 -2.368 7.594 1.00 0.00 O ATOM 977 NE2 GLN A 63 -5.123 -1.691 8.824 1.00 0.00 N ATOM 0 H GLN A 63 -4.355 -6.200 10.787 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.269 -5.685 10.819 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.170 -4.958 8.756 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.857 -5.176 8.333 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.549 -3.440 9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.921 -3.313 10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.575 -1.794 9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.865 -0.985 8.134 1.00 0.00 H new ATOM 986 N ARG A 64 -6.086 -8.370 10.623 1.00 0.00 N ATOM 987 CA ARG A 64 -6.091 -9.768 10.166 1.00 0.00 C ATOM 988 C ARG A 64 -7.481 -10.224 9.739 1.00 0.00 C ATOM 989 O ARG A 64 -7.602 -11.074 8.867 1.00 0.00 O ATOM 990 CB ARG A 64 -5.529 -10.672 11.269 1.00 0.00 C ATOM 991 CG ARG A 64 -4.933 -11.982 10.738 1.00 0.00 C ATOM 992 CD ARG A 64 -5.906 -13.165 10.708 1.00 0.00 C ATOM 993 NE ARG A 64 -5.143 -14.396 10.475 1.00 0.00 N ATOM 994 CZ ARG A 64 -4.995 -15.075 9.338 1.00 0.00 C ATOM 995 NH1 ARG A 64 -5.871 -14.966 8.349 1.00 0.00 N ATOM 996 NH2 ARG A 64 -3.921 -15.841 9.208 1.00 0.00 N ATOM 0 H ARG A 64 -5.755 -8.240 11.579 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.454 -9.840 9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.760 -10.128 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.323 -10.904 11.978 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.559 -11.812 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.075 -12.251 11.355 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.450 -13.230 11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.647 -13.025 9.921 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.664 -14.782 11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.680 -14.352 8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.736 -15.496 7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.240 -15.897 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.776 -16.375 8.351 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.529 -9.613 10.282 1.00 0.00 N ATOM 1011 CA HIS A 65 -9.913 -9.831 9.889 1.00 0.00 C ATOM 1012 C HIS A 65 -10.136 -9.562 8.387 1.00 0.00 C ATOM 1013 O HIS A 65 -11.012 -10.187 7.789 1.00 0.00 O ATOM 1014 CB HIS A 65 -10.841 -8.984 10.787 1.00 0.00 C ATOM 1015 CG HIS A 65 -10.216 -7.744 11.404 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -9.476 -7.710 12.577 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -10.320 -6.465 10.936 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -9.136 -6.429 12.815 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -9.648 -5.658 11.836 1.00 0.00 N ATOM 0 H HIS A 65 -8.433 -8.930 11.033 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.161 -10.882 10.036 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.704 -8.677 10.197 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.214 -9.618 11.591 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.828 -6.146 10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.550 -6.078 13.652 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.555 -4.644 11.769 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.384 -8.657 7.747 1.00 0.00 N ATOM 1029 CA LEU A 66 -9.460 -8.450 6.300 1.00 0.00 C ATOM 1030 C LEU A 66 -8.818 -9.625 5.561 1.00 0.00 C ATOM 1031 O LEU A 66 -9.300 -9.982 4.493 1.00 0.00 O ATOM 1032 CB LEU A 66 -8.833 -7.110 5.841 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.785 -5.894 5.783 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -10.998 -6.143 4.880 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.249 -5.474 7.183 1.00 0.00 C ATOM 0 H LEU A 66 -8.710 -8.052 8.217 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.519 -8.396 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.010 -6.869 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.402 -7.255 4.850 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.208 -5.079 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.635 -5.258 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.659 -6.353 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.564 -6.995 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.917 -4.616 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.777 -6.302 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.383 -5.204 7.788 1.00 0.00 H new ATOM 1047 N ASN A 67 -7.763 -10.247 6.100 1.00 0.00 N ATOM 1048 CA ASN A 67 -7.185 -11.454 5.510 1.00 0.00 C ATOM 1049 C ASN A 67 -8.163 -12.606 5.710 1.00 0.00 C ATOM 1050 O ASN A 67 -8.175 -13.235 6.770 1.00 0.00 O ATOM 1051 CB ASN A 67 -5.807 -11.824 6.104 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.297 -13.193 5.647 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.890 -13.864 4.809 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -4.168 -13.632 6.178 1.00 0.00 N ATOM 0 H ASN A 67 -7.292 -9.930 6.948 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.018 -11.258 4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.081 -11.061 5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.874 -11.814 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.786 -14.533 5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.679 -13.069 6.874 1.00 0.00 H new ATOM 1061 N ASN A 68 -8.972 -12.881 4.696 1.00 0.00 N ATOM 1062 CA ASN A 68 -9.877 -14.020 4.634 1.00 0.00 C ATOM 1063 C ASN A 68 -9.646 -14.713 3.295 1.00 0.00 C ATOM 1064 O ASN A 68 -9.462 -14.048 2.272 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.339 -13.595 4.827 1.00 0.00 C ATOM 1066 CG ASN A 68 -11.943 -12.850 3.643 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -11.510 -11.765 3.286 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -12.979 -13.389 3.032 1.00 0.00 N ATOM 0 H ASN A 68 -9.017 -12.295 3.863 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.671 -14.714 5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.939 -14.483 5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.406 -12.961 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.424 -12.900 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.335 -14.295 3.335 1.00 0.00 H new ATOM 1075 N ARG A 69 -9.674 -16.051 3.263 1.00 0.00 N ATOM 1076 CA ARG A 69 -9.424 -16.788 2.019 1.00 0.00 C ATOM 1077 C ARG A 69 -10.455 -16.491 0.932 1.00 0.00 C ATOM 1078 O ARG A 69 -10.213 -16.765 -0.244 1.00 0.00 O ATOM 1079 CB ARG A 69 -9.239 -18.288 2.279 1.00 0.00 C ATOM 1080 CG ARG A 69 -7.748 -18.573 2.519 1.00 0.00 C ATOM 1081 CD ARG A 69 -7.426 -20.045 2.797 1.00 0.00 C ATOM 1082 NE ARG A 69 -7.951 -20.505 4.091 1.00 0.00 N ATOM 1083 CZ ARG A 69 -7.422 -20.291 5.301 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -6.374 -19.491 5.467 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -7.958 -20.892 6.354 1.00 0.00 N ATOM 0 H ARG A 69 -9.865 -16.639 4.074 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.478 -16.421 1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.825 -18.595 3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.601 -18.865 1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.182 -18.248 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.406 -17.973 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.843 -20.661 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.345 -20.187 2.777 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.814 -21.047 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.956 -19.025 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.988 -19.343 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.763 -21.508 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.566 -20.739 7.283 1.00 0.00 H new ATOM 1099 N GLY A 70 -11.603 -15.929 1.299 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.594 -15.469 0.346 1.00 0.00 C ATOM 1101 C GLY A 70 -11.965 -14.377 -0.520 1.00 0.00 C ATOM 1102 O GLY A 70 -11.941 -14.510 -1.744 1.00 0.00 O ATOM 0 H GLY A 70 -11.868 -15.782 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.934 -16.297 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.469 -15.082 0.867 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.379 -13.343 0.103 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.647 -12.294 -0.600 1.00 0.00 C ATOM 1108 C ALA A 71 -9.470 -12.875 -1.383 1.00 0.00 C ATOM 1109 O ALA A 71 -9.226 -12.473 -2.523 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.139 -11.244 0.397 1.00 0.00 C ATOM 0 H ALA A 71 -11.403 -13.216 1.115 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.330 -11.822 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.595 -10.467 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.986 -10.799 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.475 -11.719 1.119 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.753 -13.833 -0.782 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.594 -14.469 -1.399 1.00 0.00 C ATOM 1118 C GLN A 72 -7.944 -15.064 -2.765 1.00 0.00 C ATOM 1119 O GLN A 72 -7.099 -15.036 -3.648 1.00 0.00 O ATOM 1120 CB GLN A 72 -7.001 -15.530 -0.459 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.543 -15.881 -0.790 1.00 0.00 C ATOM 1122 CD GLN A 72 -4.963 -16.859 0.234 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -4.601 -16.481 1.343 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -4.878 -18.134 -0.094 1.00 0.00 N ATOM 0 H GLN A 72 -8.966 -14.187 0.151 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.836 -13.704 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.057 -15.169 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.607 -16.434 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.489 -16.319 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.943 -14.972 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.180 -18.444 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.510 -18.810 0.576 1.00 0.00 H new ATOM 1133 N GLN A 73 -9.181 -15.524 -2.981 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.608 -16.120 -4.242 1.00 0.00 C ATOM 1135 C GLN A 73 -9.512 -15.117 -5.396 1.00 0.00 C ATOM 1136 O GLN A 73 -8.993 -15.437 -6.469 1.00 0.00 O ATOM 1137 CB GLN A 73 -11.050 -16.638 -4.080 1.00 0.00 C ATOM 1138 CG GLN A 73 -11.448 -17.690 -5.123 1.00 0.00 C ATOM 1139 CD GLN A 73 -10.670 -18.990 -4.962 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -9.904 -19.388 -5.836 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -10.818 -19.659 -3.833 1.00 0.00 N ATOM 0 H GLN A 73 -9.917 -15.491 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.946 -16.950 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.163 -17.066 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.739 -15.796 -4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.515 -17.896 -5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.278 -17.289 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.458 -19.316 -3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.292 -20.519 -3.677 1.00 0.00 H new ATOM 1150 N LYS A 74 -10.016 -13.896 -5.194 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.932 -12.831 -6.194 1.00 0.00 C ATOM 1152 C LYS A 74 -8.480 -12.401 -6.348 1.00 0.00 C ATOM 1153 O LYS A 74 -8.025 -12.196 -7.469 1.00 0.00 O ATOM 1154 CB LYS A 74 -10.812 -11.660 -5.745 1.00 0.00 C ATOM 1155 CG LYS A 74 -10.814 -10.400 -6.625 1.00 0.00 C ATOM 1156 CD LYS A 74 -11.441 -10.582 -8.017 1.00 0.00 C ATOM 1157 CE LYS A 74 -10.386 -10.871 -9.092 1.00 0.00 C ATOM 1158 NZ LYS A 74 -10.947 -10.815 -10.455 1.00 0.00 N ATOM 0 H LYS A 74 -10.492 -13.620 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.288 -13.184 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.838 -12.019 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.501 -11.370 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.352 -9.610 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.786 -10.059 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.160 -11.401 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.994 -9.682 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.575 -10.148 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.955 -11.857 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.993 -11.775 -10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.904 -10.408 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.340 -10.222 -11.056 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.757 -12.271 -5.231 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.351 -11.892 -5.246 1.00 0.00 C ATOM 1174 C LEU A 75 -5.548 -12.903 -6.072 1.00 0.00 C ATOM 1175 O LEU A 75 -4.677 -12.499 -6.838 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.816 -11.751 -3.802 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.124 -10.401 -3.535 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.889 -10.227 -2.031 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.819 -10.162 -4.303 1.00 0.00 C ATOM 0 H LEU A 75 -8.134 -12.426 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.239 -10.918 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.643 -11.871 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.111 -12.558 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.813 -9.648 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.399 -9.271 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.845 -10.251 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.255 -11.035 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.417 -9.183 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.096 -10.934 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.016 -10.198 -5.375 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.848 -14.202 -5.943 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.120 -15.284 -6.593 1.00 0.00 C ATOM 1193 C ALA A 76 -5.313 -15.202 -8.091 1.00 0.00 C ATOM 1194 O ALA A 76 -4.344 -15.332 -8.829 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.579 -16.643 -6.052 1.00 0.00 C ATOM 0 H ALA A 76 -6.624 -14.531 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.057 -15.181 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.024 -17.439 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.395 -16.688 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.645 -16.770 -6.243 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.541 -14.951 -8.528 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.912 -14.746 -9.920 1.00 0.00 C ATOM 1203 C GLU A 77 -6.103 -13.585 -10.496 1.00 0.00 C ATOM 1204 O GLU A 77 -5.499 -13.708 -11.557 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.410 -14.405 -9.926 1.00 0.00 C ATOM 1206 CG GLU A 77 -9.179 -14.856 -11.163 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.654 -14.492 -10.970 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -11.304 -15.119 -10.093 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -11.146 -13.529 -11.606 1.00 0.00 O ATOM 0 H GLU A 77 -7.338 -14.882 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.712 -15.630 -10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.871 -14.856 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.520 -13.325 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.782 -14.372 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.069 -15.931 -11.308 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.053 -12.470 -9.768 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.419 -11.251 -10.220 1.00 0.00 C ATOM 1218 C ALA A 78 -3.906 -11.447 -10.336 1.00 0.00 C ATOM 1219 O ALA A 78 -3.308 -11.073 -11.343 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.794 -10.118 -9.263 1.00 0.00 C ATOM 0 H ALA A 78 -6.460 -12.396 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.772 -10.985 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.322 -9.192 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.877 -9.991 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.451 -10.362 -8.258 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.273 -12.059 -9.333 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.846 -12.360 -9.388 1.00 0.00 C ATOM 1228 C LEU A 79 -1.542 -13.431 -10.438 1.00 0.00 C ATOM 1229 O LEU A 79 -0.498 -13.362 -11.081 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.326 -12.766 -8.000 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.357 -11.711 -7.437 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.184 -11.924 -5.939 1.00 0.00 C ATOM 1233 CD2 LEU A 79 1.008 -11.776 -8.138 1.00 0.00 C ATOM 0 H LEU A 79 -3.731 -12.356 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.320 -11.455 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.166 -12.893 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.820 -13.729 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.781 -10.724 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.502 -11.176 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.150 -11.829 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.220 -12.920 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.669 -11.018 -7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.446 -12.763 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.878 -11.593 -9.205 1.00 0.00 H new ATOM 1245 N SER A 80 -2.447 -14.389 -10.648 1.00 0.00 N ATOM 1246 CA SER A 80 -2.322 -15.385 -11.707 1.00 0.00 C ATOM 1247 C SER A 80 -2.335 -14.681 -13.067 1.00 0.00 C ATOM 1248 O SER A 80 -1.521 -14.990 -13.932 1.00 0.00 O ATOM 1249 CB SER A 80 -3.480 -16.386 -11.620 1.00 0.00 C ATOM 1250 OG SER A 80 -3.392 -17.158 -10.435 1.00 0.00 O ATOM 0 H SER A 80 -3.290 -14.494 -10.084 1.00 0.00 H new ATOM 0 HA SER A 80 -1.383 -15.926 -11.590 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.430 -15.852 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.464 -17.043 -12.489 1.00 0.00 H new ATOM 0 HG SER A 80 -3.963 -16.762 -9.744 1.00 0.00 H new ATOM 1256 N MET A 81 -3.220 -13.697 -13.247 1.00 0.00 N ATOM 1257 CA MET A 81 -3.351 -12.906 -14.461 1.00 0.00 C ATOM 1258 C MET A 81 -2.083 -12.081 -14.691 1.00 0.00 C ATOM 1259 O MET A 81 -1.633 -11.927 -15.829 1.00 0.00 O ATOM 1260 CB MET A 81 -4.589 -12.002 -14.316 1.00 0.00 C ATOM 1261 CG MET A 81 -5.027 -11.368 -15.634 1.00 0.00 C ATOM 1262 SD MET A 81 -5.474 -12.537 -16.941 1.00 0.00 S ATOM 1263 CE MET A 81 -6.946 -13.296 -16.213 1.00 0.00 C ATOM 0 H MET A 81 -3.885 -13.424 -12.523 1.00 0.00 H new ATOM 0 HA MET A 81 -3.479 -13.555 -15.328 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.414 -12.588 -13.910 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.373 -11.214 -13.595 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.882 -10.720 -15.440 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.220 -10.732 -15.998 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.456 -13.896 -16.966 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.652 -13.933 -15.379 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.618 -12.516 -15.854 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.506 -11.560 -13.607 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.298 -10.743 -13.611 1.00 0.00 C ATOM 1275 C LEU A 82 0.914 -11.572 -14.022 1.00 0.00 C ATOM 1276 O LEU A 82 1.639 -11.182 -14.933 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.100 -10.135 -12.218 1.00 0.00 C ATOM 1278 CG LEU A 82 1.171 -9.280 -12.059 1.00 0.00 C ATOM 1279 CD1 LEU A 82 1.246 -8.102 -13.040 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.218 -8.748 -10.625 1.00 0.00 C ATOM 0 H LEU A 82 -1.883 -11.702 -12.670 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.407 -9.940 -14.340 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.967 -9.519 -11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.072 -10.942 -11.486 1.00 0.00 H new ATOM 0 HG LEU A 82 2.024 -9.921 -12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.167 -7.545 -12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.234 -8.479 -14.063 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.391 -7.445 -12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.112 -8.139 -10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.333 -8.141 -10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.242 -9.585 -9.927 1.00 0.00 H new ATOM 1292 N LYS A 83 1.164 -12.702 -13.355 1.00 0.00 N ATOM 1293 CA LYS A 83 2.268 -13.587 -13.728 1.00 0.00 C ATOM 1294 C LYS A 83 1.997 -14.239 -15.082 1.00 0.00 C ATOM 1295 O LYS A 83 2.935 -14.589 -15.797 1.00 0.00 O ATOM 1296 CB LYS A 83 2.471 -14.667 -12.648 1.00 0.00 C ATOM 1297 CG LYS A 83 3.789 -15.444 -12.844 1.00 0.00 C ATOM 1298 CD LYS A 83 3.985 -16.517 -11.769 1.00 0.00 C ATOM 1299 CE LYS A 83 5.136 -17.482 -12.082 1.00 0.00 C ATOM 1300 NZ LYS A 83 6.465 -16.867 -11.901 1.00 0.00 N ATOM 0 H LYS A 83 0.618 -13.024 -12.556 1.00 0.00 H new ATOM 0 HA LYS A 83 3.178 -12.992 -13.807 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.470 -14.199 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.633 -15.364 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.792 -15.912 -13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.628 -14.748 -12.820 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.176 -16.032 -10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.062 -17.086 -11.660 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.055 -18.357 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.040 -17.833 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.970 -16.858 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.352 -15.892 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.010 -17.417 -11.207 1.00 0.00 H new ATOM 1314 N GLY A 84 0.725 -14.427 -15.432 1.00 0.00 N ATOM 1315 CA GLY A 84 0.311 -15.154 -16.615 1.00 0.00 C ATOM 1316 C GLY A 84 0.604 -16.649 -16.444 1.00 0.00 C ATOM 1317 O GLY A 84 0.733 -17.366 -17.440 1.00 0.00 O ATOM 0 H GLY A 84 -0.057 -14.068 -14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.754 -15.002 -16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.836 -14.770 -17.490 1.00 0.00 H new ATOM 1321 N SER A 85 0.913 -17.105 -15.229 1.00 0.00 N ATOM 1322 CA SER A 85 1.098 -18.493 -14.838 1.00 0.00 C ATOM 1323 C SER A 85 0.511 -18.684 -13.432 1.00 0.00 C ATOM 1324 O SER A 85 0.046 -17.715 -12.824 1.00 0.00 O ATOM 1325 CB SER A 85 2.579 -18.854 -14.964 1.00 0.00 C ATOM 1326 OG SER A 85 2.991 -18.644 -16.306 1.00 0.00 O ATOM 0 H SER A 85 1.048 -16.468 -14.444 1.00 0.00 H new ATOM 0 HA SER A 85 0.566 -19.183 -15.493 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.175 -18.242 -14.287 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.739 -19.894 -14.679 1.00 0.00 H new ATOM 0 HG SER A 85 3.940 -18.871 -16.396 1.00 0.00 H new ATOM 1332 N THR A 86 0.561 -19.900 -12.886 1.00 0.00 N ATOM 1333 CA THR A 86 0.123 -20.168 -11.522 1.00 0.00 C ATOM 1334 C THR A 86 0.989 -19.378 -10.531 1.00 0.00 C ATOM 1335 O THR A 86 2.204 -19.273 -10.717 1.00 0.00 O ATOM 1336 CB THR A 86 0.201 -21.683 -11.227 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.190 -22.474 -12.341 1.00 0.00 O ATOM 1338 CG2 THR A 86 -0.669 -22.104 -10.044 1.00 0.00 C ATOM 0 H THR A 86 0.906 -20.723 -13.379 1.00 0.00 H new ATOM 0 HA THR A 86 -0.913 -19.849 -11.409 1.00 0.00 H new ATOM 0 HB THR A 86 1.251 -21.857 -10.992 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.123 -23.423 -12.108 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.573 -23.178 -9.886 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.345 -21.575 -9.148 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.711 -21.860 -10.253 1.00 0.00 H new ATOM 1346 N VAL A 87 0.369 -18.843 -9.481 1.00 0.00 N ATOM 1347 CA VAL A 87 1.034 -18.180 -8.369 1.00 0.00 C ATOM 1348 C VAL A 87 0.568 -18.897 -7.111 1.00 0.00 C ATOM 1349 O VAL A 87 -0.635 -19.136 -6.950 1.00 0.00 O ATOM 1350 CB VAL A 87 0.673 -16.679 -8.332 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.320 -15.990 -7.122 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.153 -15.951 -9.591 1.00 0.00 C ATOM 0 H VAL A 87 -0.646 -18.862 -9.381 1.00 0.00 H new ATOM 0 HA VAL A 87 2.119 -18.229 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.414 -16.625 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.051 -14.934 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.965 -16.458 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.404 -16.088 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.881 -14.897 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.236 -16.042 -9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.684 -16.395 -10.469 1.00 0.00 H new ATOM 1362 N GLU A 88 1.486 -19.251 -6.213 1.00 0.00 N ATOM 1363 CA GLU A 88 1.108 -19.813 -4.933 1.00 0.00 C ATOM 1364 C GLU A 88 0.890 -18.616 -4.033 1.00 0.00 C ATOM 1365 O GLU A 88 1.798 -18.168 -3.332 1.00 0.00 O ATOM 1366 CB GLU A 88 2.178 -20.802 -4.435 1.00 0.00 C ATOM 1367 CG GLU A 88 1.856 -22.223 -4.904 1.00 0.00 C ATOM 1368 CD GLU A 88 0.558 -22.684 -4.239 1.00 0.00 C ATOM 1369 OE1 GLU A 88 0.545 -22.834 -2.992 1.00 0.00 O ATOM 1370 OE2 GLU A 88 -0.488 -22.755 -4.928 1.00 0.00 O ATOM 0 H GLU A 88 2.492 -19.156 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 88 0.199 -20.414 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.158 -20.504 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.228 -20.775 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.753 -22.247 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.672 -22.899 -4.646 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.321 -18.068 -4.096 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.658 -16.857 -3.382 1.00 0.00 C ATOM 1379 C LEU A 89 -1.242 -17.227 -2.033 1.00 0.00 C ATOM 1380 O LEU A 89 -2.201 -17.998 -1.965 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.619 -15.978 -4.183 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.124 -14.760 -3.378 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.094 -13.780 -2.820 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -2.994 -13.933 -4.301 1.00 0.00 C ATOM 0 H LEU A 89 -1.089 -18.456 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 89 0.248 -16.269 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.119 -15.629 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.472 -16.577 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.607 -15.212 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.605 -12.982 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.423 -14.305 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.517 -13.352 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.369 -13.062 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.406 -13.605 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.834 -14.536 -4.646 1.00 0.00 H new ATOM 1396 N THR A 90 -0.674 -16.668 -0.976 1.00 0.00 N ATOM 1397 CA THR A 90 -1.177 -16.790 0.370 1.00 0.00 C ATOM 1398 C THR A 90 -1.197 -15.393 0.954 1.00 0.00 C ATOM 1399 O THR A 90 -0.668 -14.429 0.390 1.00 0.00 O ATOM 1400 CB THR A 90 -0.315 -17.760 1.186 1.00 0.00 C ATOM 1401 OG1 THR A 90 -0.908 -18.095 2.423 1.00 0.00 O ATOM 1402 CG2 THR A 90 1.099 -17.227 1.431 1.00 0.00 C ATOM 0 H THR A 90 0.173 -16.103 -1.040 1.00 0.00 H new ATOM 0 HA THR A 90 -2.183 -17.209 0.387 1.00 0.00 H new ATOM 0 HB THR A 90 -0.244 -18.661 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.325 -18.716 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.666 -17.953 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.596 -17.061 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.043 -16.287 1.979 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.778 -15.309 2.132 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.800 -14.112 2.935 1.00 0.00 C ATOM 1412 C ILE A 91 -1.414 -14.597 4.328 1.00 0.00 C ATOM 1413 O ILE A 91 -2.132 -15.393 4.944 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.157 -13.387 2.868 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.717 -13.163 1.443 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.023 -12.012 3.547 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -5.238 -13.008 1.485 1.00 0.00 C ATOM 0 H ILE A 91 -2.261 -16.095 2.567 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.108 -13.347 2.582 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.862 -14.046 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.267 -12.273 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.448 -14.004 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.979 -11.491 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.729 -12.147 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.265 -11.423 3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.616 -12.851 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.684 -13.910 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.499 -12.152 2.107 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.260 -14.150 4.804 1.00 0.00 N ATOM 1430 CA VAL A 92 0.276 -14.479 6.114 1.00 0.00 C ATOM 1431 C VAL A 92 0.020 -13.260 6.991 1.00 0.00 C ATOM 1432 O VAL A 92 0.010 -12.134 6.493 1.00 0.00 O ATOM 1433 CB VAL A 92 1.768 -14.874 6.015 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.931 -16.156 5.188 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.688 -13.794 5.427 1.00 0.00 C ATOM 0 H VAL A 92 0.347 -13.528 4.270 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.208 -15.351 6.555 1.00 0.00 H new ATOM 0 HB VAL A 92 2.081 -15.022 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.987 -16.419 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.381 -16.968 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.541 -15.993 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.713 -14.165 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.362 -13.550 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.643 -12.900 6.049 1.00 0.00 H new ATOM 1445 N GLU A 93 -0.260 -13.465 8.274 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.391 -12.355 9.204 1.00 0.00 C ATOM 1447 C GLU A 93 1.022 -12.030 9.683 1.00 0.00 C ATOM 1448 O GLU A 93 1.757 -12.936 10.085 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.389 -12.678 10.325 1.00 0.00 C ATOM 1450 CG GLU A 93 -0.945 -13.760 11.316 1.00 0.00 C ATOM 1451 CD GLU A 93 -2.119 -14.237 12.160 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -2.827 -15.178 11.738 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -2.356 -13.707 13.272 1.00 0.00 O ATOM 0 H GLU A 93 -0.400 -14.386 8.690 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.817 -11.469 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.592 -11.763 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.329 -12.990 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.516 -14.602 10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.162 -13.366 11.964 1.00 0.00 H new ATOM 1460 N ASP A 94 1.446 -10.781 9.520 1.00 0.00 N ATOM 1461 CA ASP A 94 2.734 -10.255 9.948 1.00 0.00 C ATOM 1462 C ASP A 94 2.505 -8.842 10.469 1.00 0.00 C ATOM 1463 O ASP A 94 2.073 -7.976 9.705 1.00 0.00 O ATOM 1464 CB ASP A 94 3.705 -10.259 8.767 1.00 0.00 C ATOM 1465 CG ASP A 94 5.121 -9.815 9.137 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.329 -8.984 10.042 1.00 0.00 O ATOM 1467 OD2 ASP A 94 6.068 -10.313 8.489 1.00 0.00 O ATOM 0 H ASP A 94 0.870 -10.074 9.063 1.00 0.00 H new ATOM 0 HA ASP A 94 3.170 -10.869 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.747 -11.263 8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.319 -9.602 7.988 1.00 0.00 H new ATOM 1472 N ASP A 95 2.765 -8.578 11.743 1.00 0.00 N ATOM 1473 CA ASP A 95 2.564 -7.258 12.347 1.00 0.00 C ATOM 1474 C ASP A 95 3.718 -6.263 12.116 1.00 0.00 C ATOM 1475 O ASP A 95 3.503 -5.061 12.235 1.00 0.00 O ATOM 1476 CB ASP A 95 2.354 -7.454 13.853 1.00 0.00 C ATOM 1477 CG ASP A 95 2.235 -6.126 14.598 1.00 0.00 C ATOM 1478 OD1 ASP A 95 1.259 -5.380 14.358 1.00 0.00 O ATOM 1479 OD2 ASP A 95 3.109 -5.840 15.457 1.00 0.00 O ATOM 0 H ASP A 95 3.124 -9.276 12.395 1.00 0.00 H new ATOM 0 HA ASP A 95 1.696 -6.814 11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.452 -8.043 14.018 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.187 -8.025 14.263 1.00 0.00 H new ATOM 1484 N ASN A 96 4.911 -6.725 11.729 1.00 0.00 N ATOM 1485 CA ASN A 96 6.125 -5.905 11.613 1.00 0.00 C ATOM 1486 C ASN A 96 6.044 -4.725 10.620 1.00 0.00 C ATOM 1487 O ASN A 96 6.048 -4.975 9.412 1.00 0.00 O ATOM 1488 CB ASN A 96 7.329 -6.798 11.258 1.00 0.00 C ATOM 1489 CG ASN A 96 8.657 -6.065 11.424 1.00 0.00 C ATOM 1490 OD1 ASN A 96 8.694 -4.888 11.761 1.00 0.00 O ATOM 1491 ND2 ASN A 96 9.786 -6.714 11.209 1.00 0.00 N ATOM 0 H ASN A 96 5.065 -7.702 11.481 1.00 0.00 H new ATOM 0 HA ASN A 96 6.245 -5.444 12.593 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.323 -7.684 11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.232 -7.143 10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.679 -6.235 11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.765 -7.694 10.928 1.00 0.00 H new ATOM 1498 N PRO A 97 6.070 -3.447 11.056 1.00 0.00 N ATOM 1499 CA PRO A 97 6.065 -2.275 10.174 1.00 0.00 C ATOM 1500 C PRO A 97 7.339 -2.075 9.330 1.00 0.00 C ATOM 1501 O PRO A 97 7.436 -1.072 8.622 1.00 0.00 O ATOM 1502 CB PRO A 97 5.764 -1.076 11.082 1.00 0.00 C ATOM 1503 CG PRO A 97 6.272 -1.504 12.448 1.00 0.00 C ATOM 1504 CD PRO A 97 6.037 -3.012 12.447 1.00 0.00 C ATOM 0 HA PRO A 97 5.307 -2.409 9.402 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.270 -0.176 10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.697 -0.853 11.106 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.326 -1.260 12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.727 -1.012 13.253 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.804 -3.522 13.029 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.077 -3.253 12.904 1.00 0.00 H new ATOM 1512 N ALA A 98 8.300 -3.005 9.343 1.00 0.00 N ATOM 1513 CA ALA A 98 9.589 -2.904 8.654 1.00 0.00 C ATOM 1514 C ALA A 98 9.471 -2.874 7.126 1.00 0.00 C ATOM 1515 O ALA A 98 10.470 -2.695 6.427 1.00 0.00 O ATOM 1516 CB ALA A 98 10.474 -4.083 9.062 1.00 0.00 C ATOM 0 H ALA A 98 8.196 -3.882 9.854 1.00 0.00 H new ATOM 0 HA ALA A 98 10.028 -1.953 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.434 -4.011 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.634 -4.062 10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.985 -5.017 8.786 1.00 0.00 H new ATOM 1522 N VAL A 99 8.276 -3.089 6.591 1.00 0.00 N ATOM 1523 CA VAL A 99 7.969 -2.970 5.172 1.00 0.00 C ATOM 1524 C VAL A 99 6.682 -2.155 5.086 1.00 0.00 C ATOM 1525 O VAL A 99 5.773 -2.351 5.899 1.00 0.00 O ATOM 1526 CB VAL A 99 7.842 -4.355 4.509 1.00 0.00 C ATOM 1527 CG1 VAL A 99 7.810 -4.224 2.980 1.00 0.00 C ATOM 1528 CG2 VAL A 99 8.982 -5.316 4.888 1.00 0.00 C ATOM 0 H VAL A 99 7.468 -3.360 7.151 1.00 0.00 H new ATOM 0 HA VAL A 99 8.769 -2.470 4.626 1.00 0.00 H new ATOM 0 HB VAL A 99 6.907 -4.774 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.720 -5.214 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.957 -3.613 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.730 -3.752 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.833 -6.273 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.936 -4.889 4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.986 -5.468 5.967 1.00 0.00 H new ATOM 1538 N ARG A 100 6.586 -1.214 4.151 1.00 0.00 N ATOM 1539 CA ARG A 100 5.385 -0.397 4.023 1.00 0.00 C ATOM 1540 C ARG A 100 4.390 -1.126 3.128 1.00 0.00 C ATOM 1541 O ARG A 100 4.752 -1.595 2.050 1.00 0.00 O ATOM 1542 CB ARG A 100 5.729 0.992 3.462 1.00 0.00 C ATOM 1543 CG ARG A 100 6.629 1.824 4.394 1.00 0.00 C ATOM 1544 CD ARG A 100 8.091 1.888 3.923 1.00 0.00 C ATOM 1545 NE ARG A 100 9.019 2.124 5.046 1.00 0.00 N ATOM 1546 CZ ARG A 100 9.772 1.216 5.683 1.00 0.00 C ATOM 1547 NH1 ARG A 100 9.845 -0.042 5.247 1.00 0.00 N ATOM 1548 NH2 ARG A 100 10.458 1.572 6.765 1.00 0.00 N ATOM 0 H ARG A 100 7.320 -1.000 3.476 1.00 0.00 H new ATOM 0 HA ARG A 100 4.937 -0.244 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.227 0.874 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.805 1.540 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.232 2.837 4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.595 1.398 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.353 0.955 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.201 2.684 3.187 1.00 0.00 H new ATOM 0 HE ARG A 100 9.096 3.087 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.323 -0.325 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.423 -0.721 5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.410 2.532 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.032 0.885 7.254 1.00 0.00 H new ATOM 1562 N THR A 101 3.150 -1.291 3.590 1.00 0.00 N ATOM 1563 CA THR A 101 2.090 -1.846 2.749 1.00 0.00 C ATOM 1564 C THR A 101 1.741 -0.718 1.752 1.00 0.00 C ATOM 1565 O THR A 101 2.055 0.434 2.058 1.00 0.00 O ATOM 1566 CB THR A 101 0.910 -2.299 3.638 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.169 -1.220 4.183 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.361 -3.182 4.814 1.00 0.00 C ATOM 0 H THR A 101 2.856 -1.050 4.537 1.00 0.00 H new ATOM 0 HA THR A 101 2.380 -2.740 2.196 1.00 0.00 H new ATOM 0 HB THR A 101 0.277 -2.868 2.958 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.686 -1.139 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.492 -3.472 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.853 -4.076 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.058 -2.625 5.441 1.00 0.00 H new ATOM 1576 N PRO A 102 1.077 -0.925 0.600 1.00 0.00 N ATOM 1577 CA PRO A 102 0.889 0.170 -0.349 1.00 0.00 C ATOM 1578 C PRO A 102 0.051 1.318 0.238 1.00 0.00 C ATOM 1579 O PRO A 102 0.273 2.473 -0.132 1.00 0.00 O ATOM 1580 CB PRO A 102 0.332 -0.444 -1.631 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.187 -1.807 -1.220 1.00 0.00 C ATOM 1582 CD PRO A 102 0.564 -2.168 0.068 1.00 0.00 C ATOM 0 HA PRO A 102 1.835 0.660 -0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.464 0.172 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.104 -0.530 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.264 -1.781 -1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.004 -2.547 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.101 -2.652 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.375 -2.867 -0.137 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.858 1.037 1.184 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.606 2.071 1.904 1.00 0.00 C ATOM 1592 C LEU A 103 -0.628 2.931 2.694 1.00 0.00 C ATOM 1593 O LEU A 103 -0.659 4.160 2.608 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.631 1.418 2.847 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.530 2.409 3.616 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.918 1.793 3.831 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.954 2.792 4.984 1.00 0.00 C ATOM 0 H LEU A 103 -1.093 0.086 1.469 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.145 2.698 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.266 0.751 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.097 0.800 3.568 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.591 3.312 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.548 2.497 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.371 1.571 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.822 0.872 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.628 3.491 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.845 1.897 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.979 3.261 4.850 1.00 0.00 H new ATOM 1609 N GLU A 104 0.235 2.288 3.479 1.00 0.00 N ATOM 1610 CA GLU A 104 1.206 3.001 4.286 1.00 0.00 C ATOM 1611 C GLU A 104 2.285 3.627 3.415 1.00 0.00 C ATOM 1612 O GLU A 104 2.800 4.653 3.822 1.00 0.00 O ATOM 1613 CB GLU A 104 1.793 2.095 5.378 1.00 0.00 C ATOM 1614 CG GLU A 104 0.841 1.967 6.577 1.00 0.00 C ATOM 1615 CD GLU A 104 0.616 3.291 7.330 1.00 0.00 C ATOM 1616 OE1 GLU A 104 -0.332 4.032 6.991 1.00 0.00 O ATOM 1617 OE2 GLU A 104 1.321 3.569 8.334 1.00 0.00 O ATOM 0 H GLU A 104 0.276 1.273 3.569 1.00 0.00 H new ATOM 0 HA GLU A 104 0.693 3.817 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.992 1.107 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.748 2.499 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.120 1.589 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.241 1.228 7.271 1.00 0.00 H new ATOM 1624 N TRP A 105 2.591 3.123 2.214 1.00 0.00 N ATOM 1625 CA TRP A 105 3.530 3.781 1.311 1.00 0.00 C ATOM 1626 C TRP A 105 3.010 5.166 0.932 1.00 0.00 C ATOM 1627 O TRP A 105 3.804 6.101 0.933 1.00 0.00 O ATOM 1628 CB TRP A 105 3.818 2.951 0.049 1.00 0.00 C ATOM 1629 CG TRP A 105 5.029 2.068 0.064 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.042 0.725 -0.094 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.433 2.462 0.152 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.347 0.269 -0.098 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.248 1.299 0.046 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.101 3.690 0.312 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 8.647 1.350 0.129 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.506 3.761 0.385 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.278 2.590 0.323 1.00 0.00 C ATOM 0 H TRP A 105 2.197 2.256 1.847 1.00 0.00 H new ATOM 0 HA TRP A 105 4.475 3.880 1.845 1.00 0.00 H new ATOM 0 HB2 TRP A 105 2.948 2.325 -0.148 1.00 0.00 H new ATOM 0 HB3 TRP A 105 3.913 3.638 -0.791 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.166 0.103 -0.201 1.00 0.00 H new ATOM 0 HE1 TRP A 105 6.610 -0.712 -0.196 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.523 4.600 0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.233 0.446 0.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 8.991 4.720 0.489 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.352 2.642 0.424 1.00 0.00 H new ATOM 1648 N ARG A 106 1.707 5.345 0.658 1.00 0.00 N ATOM 1649 CA ARG A 106 1.156 6.686 0.405 1.00 0.00 C ATOM 1650 C ARG A 106 1.521 7.594 1.581 1.00 0.00 C ATOM 1651 O ARG A 106 2.093 8.663 1.384 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.373 6.630 0.169 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.987 8.020 -0.106 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.512 8.099 0.075 1.00 0.00 C ATOM 1655 NE ARG A 106 -3.286 7.873 -1.158 1.00 0.00 N ATOM 1656 CZ ARG A 106 -4.604 7.644 -1.236 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -5.359 7.611 -0.150 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -5.189 7.472 -2.413 1.00 0.00 N ATOM 0 H ARG A 106 1.024 4.589 0.606 1.00 0.00 H new ATOM 0 HA ARG A 106 1.590 7.096 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.582 5.972 -0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.855 6.191 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.518 8.746 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.741 8.315 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.815 7.363 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.767 9.080 0.475 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.769 7.893 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.940 7.761 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.361 7.435 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.635 7.513 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.193 7.298 -2.463 1.00 0.00 H new ATOM 1672 N GLN A 107 1.195 7.166 2.799 1.00 0.00 N ATOM 1673 CA GLN A 107 1.431 7.948 4.004 1.00 0.00 C ATOM 1674 C GLN A 107 2.929 8.199 4.203 1.00 0.00 C ATOM 1675 O GLN A 107 3.329 9.323 4.511 1.00 0.00 O ATOM 1676 CB GLN A 107 0.796 7.204 5.198 1.00 0.00 C ATOM 1677 CG GLN A 107 0.431 8.114 6.378 1.00 0.00 C ATOM 1678 CD GLN A 107 1.485 8.208 7.471 1.00 0.00 C ATOM 1679 OE1 GLN A 107 1.312 7.686 8.571 1.00 0.00 O ATOM 1680 NE2 GLN A 107 2.570 8.910 7.228 1.00 0.00 N ATOM 0 H GLN A 107 0.757 6.262 2.975 1.00 0.00 H new ATOM 0 HA GLN A 107 0.967 8.930 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.103 6.691 4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.488 6.437 5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.235 9.116 5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.498 7.754 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.705 9.339 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.276 9.025 7.955 1.00 0.00 H new ATOM 1689 N ALA A 108 3.751 7.166 4.040 1.00 0.00 N ATOM 1690 CA ALA A 108 5.172 7.184 4.299 1.00 0.00 C ATOM 1691 C ALA A 108 5.868 8.110 3.321 1.00 0.00 C ATOM 1692 O ALA A 108 6.773 8.812 3.731 1.00 0.00 O ATOM 1693 CB ALA A 108 5.749 5.770 4.197 1.00 0.00 C ATOM 0 H ALA A 108 3.422 6.259 3.709 1.00 0.00 H new ATOM 0 HA ALA A 108 5.340 7.554 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.821 5.799 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.263 5.125 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.575 5.378 3.195 1.00 0.00 H new ATOM 1699 N ILE A 109 5.461 8.167 2.054 1.00 0.00 N ATOM 1700 CA ILE A 109 6.071 9.048 1.055 1.00 0.00 C ATOM 1701 C ILE A 109 5.815 10.516 1.416 1.00 0.00 C ATOM 1702 O ILE A 109 6.612 11.383 1.061 1.00 0.00 O ATOM 1703 CB ILE A 109 5.539 8.653 -0.344 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.023 7.235 -0.735 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.864 9.669 -1.447 1.00 0.00 C ATOM 1706 CD1 ILE A 109 7.268 7.125 -1.616 1.00 0.00 C ATOM 0 H ILE A 109 4.695 7.601 1.688 1.00 0.00 H new ATOM 0 HA ILE A 109 7.154 8.930 1.039 1.00 0.00 H new ATOM 0 HB ILE A 109 4.452 8.651 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.213 6.681 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.204 6.731 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.457 9.319 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.421 10.633 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.945 9.778 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.487 6.074 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.091 7.637 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.115 7.585 -1.108 1.00 0.00 H new ATOM 1718 N TYR A 110 4.733 10.823 2.135 1.00 0.00 N ATOM 1719 CA TYR A 110 4.494 12.175 2.612 1.00 0.00 C ATOM 1720 C TYR A 110 5.412 12.458 3.784 1.00 0.00 C ATOM 1721 O TYR A 110 6.106 13.477 3.803 1.00 0.00 O ATOM 1722 CB TYR A 110 3.029 12.333 3.036 1.00 0.00 C ATOM 1723 CG TYR A 110 2.632 13.770 3.288 1.00 0.00 C ATOM 1724 CD1 TYR A 110 2.800 14.338 4.566 1.00 0.00 C ATOM 1725 CD2 TYR A 110 2.087 14.540 2.244 1.00 0.00 C ATOM 1726 CE1 TYR A 110 2.401 15.663 4.803 1.00 0.00 C ATOM 1727 CE2 TYR A 110 1.675 15.862 2.479 1.00 0.00 C ATOM 1728 CZ TYR A 110 1.823 16.427 3.766 1.00 0.00 C ATOM 1729 OH TYR A 110 1.408 17.696 4.009 1.00 0.00 O ATOM 0 H TYR A 110 4.013 10.150 2.396 1.00 0.00 H new ATOM 0 HA TYR A 110 4.700 12.885 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.386 11.916 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.855 11.751 3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.236 13.754 5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.985 14.113 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 110 2.537 16.099 5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.246 16.446 1.678 1.00 0.00 H new ATOM 0 HH TYR A 110 1.035 18.081 3.188 1.00 0.00 H new ATOM 1739 N GLU A 111 5.389 11.555 4.760 1.00 0.00 N ATOM 1740 CA GLU A 111 6.120 11.680 6.000 1.00 0.00 C ATOM 1741 C GLU A 111 7.622 11.609 5.740 1.00 0.00 C ATOM 1742 O GLU A 111 8.374 12.188 6.505 1.00 0.00 O ATOM 1743 CB GLU A 111 5.642 10.580 6.950 1.00 0.00 C ATOM 1744 CG GLU A 111 6.035 10.862 8.403 1.00 0.00 C ATOM 1745 CD GLU A 111 5.626 9.722 9.339 1.00 0.00 C ATOM 1746 OE1 GLU A 111 4.502 9.185 9.195 1.00 0.00 O ATOM 1747 OE2 GLU A 111 6.397 9.379 10.263 1.00 0.00 O ATOM 0 H GLU A 111 4.844 10.695 4.700 1.00 0.00 H new ATOM 0 HA GLU A 111 5.931 12.648 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.558 10.487 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.065 9.625 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.113 11.013 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.564 11.788 8.733 1.00 0.00 H new ATOM 1754 N GLU A 112 8.088 11.004 4.649 1.00 0.00 N ATOM 1755 CA GLU A 112 9.492 10.967 4.301 1.00 0.00 C ATOM 1756 C GLU A 112 10.020 12.382 4.090 1.00 0.00 C ATOM 1757 O GLU A 112 11.149 12.647 4.478 1.00 0.00 O ATOM 1758 CB GLU A 112 9.724 10.023 3.108 1.00 0.00 C ATOM 1759 CG GLU A 112 9.656 10.613 1.692 1.00 0.00 C ATOM 1760 CD GLU A 112 11.038 10.883 1.104 1.00 0.00 C ATOM 1761 OE1 GLU A 112 11.784 9.908 0.832 1.00 0.00 O ATOM 1762 OE2 GLU A 112 11.364 12.052 0.811 1.00 0.00 O ATOM 0 H GLU A 112 7.488 10.523 3.979 1.00 0.00 H new ATOM 0 HA GLU A 112 10.071 10.551 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.706 9.566 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.989 9.221 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.116 9.926 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.087 11.542 1.716 1.00 0.00 H new ATOM 1769 N LYS A 113 9.201 13.321 3.593 1.00 0.00 N ATOM 1770 CA LYS A 113 9.617 14.711 3.415 1.00 0.00 C ATOM 1771 C LYS A 113 9.691 15.457 4.744 1.00 0.00 C ATOM 1772 O LYS A 113 10.319 16.512 4.843 1.00 0.00 O ATOM 1773 CB LYS A 113 8.671 15.424 2.445 1.00 0.00 C ATOM 1774 CG LYS A 113 8.923 14.948 1.009 1.00 0.00 C ATOM 1775 CD LYS A 113 8.242 15.872 -0.009 1.00 0.00 C ATOM 1776 CE LYS A 113 8.880 15.771 -1.399 1.00 0.00 C ATOM 1777 NZ LYS A 113 10.263 16.294 -1.399 1.00 0.00 N ATOM 0 H LYS A 113 8.240 13.136 3.307 1.00 0.00 H new ATOM 0 HA LYS A 113 10.622 14.707 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.636 15.226 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 113 8.818 16.502 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.995 14.917 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.548 13.931 0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.184 15.618 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.300 16.902 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.883 14.731 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.279 16.328 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.533 16.561 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.318 17.129 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.912 15.561 -1.048 1.00 0.00 H new ATOM 1791 N LEU A 114 9.040 14.929 5.775 1.00 0.00 N ATOM 1792 CA LEU A 114 9.119 15.445 7.125 1.00 0.00 C ATOM 1793 C LEU A 114 10.331 14.796 7.780 1.00 0.00 C ATOM 1794 O LEU A 114 11.184 15.496 8.316 1.00 0.00 O ATOM 1795 CB LEU A 114 7.804 15.150 7.880 1.00 0.00 C ATOM 1796 CG LEU A 114 6.669 16.170 7.642 1.00 0.00 C ATOM 1797 CD1 LEU A 114 6.265 16.324 6.169 1.00 0.00 C ATOM 1798 CD2 LEU A 114 5.431 15.731 8.431 1.00 0.00 C ATOM 0 H LEU A 114 8.432 14.114 5.687 1.00 0.00 H new ATOM 0 HA LEU A 114 9.241 16.528 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.450 14.161 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 114 8.018 15.110 8.948 1.00 0.00 H new ATOM 0 HG LEU A 114 7.052 17.135 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.463 17.058 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 114 7.125 16.659 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.920 15.364 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.624 16.446 8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.115 14.744 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.672 15.691 9.493 1.00 0.00 H new ATOM 1810 N ALA A 115 10.455 13.472 7.702 1.00 0.00 N ATOM 1811 CA ALA A 115 11.489 12.708 8.379 1.00 0.00 C ATOM 1812 C ALA A 115 12.858 13.079 7.840 1.00 0.00 C ATOM 1813 O ALA A 115 13.766 13.305 8.636 1.00 0.00 O ATOM 1814 CB ALA A 115 11.222 11.206 8.223 1.00 0.00 C ATOM 0 H ALA A 115 9.822 12.892 7.152 1.00 0.00 H new ATOM 0 HA ALA A 115 11.470 12.949 9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 115 12.003 10.643 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.253 10.961 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.220 10.945 7.165 1.00 0.00 H new ATOM 1820 N GLN A 116 13.001 13.231 6.518 1.00 0.00 N ATOM 1821 CA GLN A 116 14.285 13.541 5.896 1.00 0.00 C ATOM 1822 C GLN A 116 14.856 14.848 6.444 1.00 0.00 C ATOM 1823 O GLN A 116 16.072 15.028 6.489 1.00 0.00 O ATOM 1824 CB GLN A 116 14.223 13.514 4.358 1.00 0.00 C ATOM 1825 CG GLN A 116 13.338 14.581 3.688 1.00 0.00 C ATOM 1826 CD GLN A 116 13.951 15.970 3.583 1.00 0.00 C ATOM 1827 OE1 GLN A 116 13.380 16.934 4.082 1.00 0.00 O ATOM 1828 NE2 GLN A 116 15.079 16.130 2.922 1.00 0.00 N ATOM 0 H GLN A 116 12.231 13.142 5.855 1.00 0.00 H new ATOM 0 HA GLN A 116 14.979 12.746 6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 116 15.237 13.621 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 116 13.867 12.532 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 116 13.083 14.239 2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.405 14.656 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 116 15.548 15.323 2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.484 17.061 2.822 1.00 0.00 H new ATOM 1837 N ALA A 117 13.992 15.749 6.915 1.00 0.00 N ATOM 1838 CA ALA A 117 14.408 17.026 7.463 1.00 0.00 C ATOM 1839 C ALA A 117 15.167 16.877 8.785 1.00 0.00 C ATOM 1840 O ALA A 117 15.966 17.759 9.109 1.00 0.00 O ATOM 1841 CB ALA A 117 13.182 17.934 7.605 1.00 0.00 C ATOM 0 H ALA A 117 12.982 15.606 6.924 1.00 0.00 H new ATOM 0 HA ALA A 117 15.115 17.486 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 117 13.487 18.896 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 117 12.727 18.086 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.459 17.467 8.273 1.00 0.00 H new ATOM 1847 N ARG A 118 14.952 15.796 9.543 1.00 0.00 N ATOM 1848 CA ARG A 118 15.697 15.468 10.753 1.00 0.00 C ATOM 1849 C ARG A 118 16.750 14.413 10.437 1.00 0.00 C ATOM 1850 O ARG A 118 17.871 14.484 10.942 1.00 0.00 O ATOM 1851 CB ARG A 118 14.714 15.009 11.838 1.00 0.00 C ATOM 1852 CG ARG A 118 15.370 14.754 13.201 1.00 0.00 C ATOM 1853 CD ARG A 118 14.269 14.564 14.255 1.00 0.00 C ATOM 1854 NE ARG A 118 14.808 14.402 15.615 1.00 0.00 N ATOM 1855 CZ ARG A 118 15.376 13.304 16.124 1.00 0.00 C ATOM 1856 NH1 ARG A 118 15.558 12.212 15.393 1.00 0.00 N ATOM 1857 NH2 ARG A 118 15.783 13.331 17.387 1.00 0.00 N ATOM 0 H ARG A 118 14.233 15.108 9.321 1.00 0.00 H new ATOM 0 HA ARG A 118 16.224 16.345 11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 118 13.938 15.765 11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 118 14.222 14.095 11.506 1.00 0.00 H new ATOM 0 HG2 ARG A 118 16.004 13.869 13.154 1.00 0.00 H new ATOM 0 HG3 ARG A 118 16.012 15.592 13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.599 15.424 14.234 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.673 13.689 13.998 1.00 0.00 H new ATOM 0 HE ARG A 118 14.741 15.211 16.233 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.262 12.196 14.417 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.994 11.388 15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.659 14.176 17.945 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.220 12.507 17.800 1.00 0.00 H new ATOM 1871 N GLU A 119 16.423 13.490 9.535 1.00 0.00 N ATOM 1872 CA GLU A 119 17.311 12.455 9.045 1.00 0.00 C ATOM 1873 C GLU A 119 18.565 13.078 8.439 1.00 0.00 C ATOM 1874 O GLU A 119 19.634 12.497 8.561 1.00 0.00 O ATOM 1875 CB GLU A 119 16.596 11.626 7.977 1.00 0.00 C ATOM 1876 CG GLU A 119 17.200 10.236 7.794 1.00 0.00 C ATOM 1877 CD GLU A 119 16.992 9.727 6.368 1.00 0.00 C ATOM 1878 OE1 GLU A 119 15.886 9.853 5.793 1.00 0.00 O ATOM 1879 OE2 GLU A 119 17.981 9.225 5.783 1.00 0.00 O ATOM 0 H GLU A 119 15.495 13.447 9.113 1.00 0.00 H new ATOM 0 HA GLU A 119 17.596 11.815 9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.545 11.526 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.632 12.159 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.266 10.267 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.744 9.543 8.501 1.00 0.00 H new ATOM 1886 N SER A 120 18.472 14.275 7.845 1.00 0.00 N ATOM 1887 CA SER A 120 19.633 14.939 7.262 1.00 0.00 C ATOM 1888 C SER A 120 20.769 15.173 8.271 1.00 0.00 C ATOM 1889 O SER A 120 21.913 15.328 7.847 1.00 0.00 O ATOM 1890 CB SER A 120 19.209 16.269 6.641 1.00 0.00 C ATOM 1891 OG SER A 120 18.286 16.081 5.577 1.00 0.00 O ATOM 0 H SER A 120 17.601 14.799 7.758 1.00 0.00 H new ATOM 0 HA SER A 120 20.027 14.270 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 120 18.758 16.901 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 120 20.089 16.795 6.271 1.00 0.00 H new ATOM 0 HG SER A 120 17.414 15.821 5.942 1.00 0.00 H new ATOM 1897 N ILE A 121 20.480 15.202 9.577 1.00 0.00 N ATOM 1898 CA ILE A 121 21.494 15.301 10.619 1.00 0.00 C ATOM 1899 C ILE A 121 21.909 13.889 11.052 1.00 0.00 C ATOM 1900 O ILE A 121 23.092 13.649 11.279 1.00 0.00 O ATOM 1901 CB ILE A 121 20.978 16.171 11.795 1.00 0.00 C ATOM 1902 CG1 ILE A 121 20.464 17.566 11.348 1.00 0.00 C ATOM 1903 CG2 ILE A 121 22.106 16.388 12.821 1.00 0.00 C ATOM 1904 CD1 ILE A 121 18.972 17.617 10.985 1.00 0.00 C ATOM 0 H ILE A 121 19.527 15.157 9.937 1.00 0.00 H new ATOM 0 HA ILE A 121 22.383 15.803 10.237 1.00 0.00 H new ATOM 0 HB ILE A 121 20.140 15.625 12.229 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.653 18.281 12.149 1.00 0.00 H new ATOM 0 HG13 ILE A 121 21.045 17.892 10.485 1.00 0.00 H new ATOM 0 HG21 ILE A 121 21.737 17.000 13.644 1.00 0.00 H new ATOM 0 HG22 ILE A 121 22.438 15.424 13.206 1.00 0.00 H new ATOM 0 HG23 ILE A 121 22.943 16.894 12.340 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.705 18.630 10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 121 18.774 16.931 10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.377 17.326 11.850 1.00 0.00 H new ATOM 1916 N ILE A 122 20.962 12.947 11.133 1.00 0.00 N ATOM 1917 CA ILE A 122 21.242 11.543 11.443 1.00 0.00 C ATOM 1918 C ILE A 122 22.229 10.972 10.419 1.00 0.00 C ATOM 1919 O ILE A 122 23.107 10.205 10.793 1.00 0.00 O ATOM 1920 CB ILE A 122 19.942 10.718 11.530 1.00 0.00 C ATOM 1921 CG1 ILE A 122 19.089 11.342 12.655 1.00 0.00 C ATOM 1922 CG2 ILE A 122 20.233 9.226 11.798 1.00 0.00 C ATOM 1923 CD1 ILE A 122 17.849 10.534 12.998 1.00 0.00 C ATOM 0 H ILE A 122 19.972 13.141 10.984 1.00 0.00 H new ATOM 0 HA ILE A 122 21.708 11.482 12.426 1.00 0.00 H new ATOM 0 HB ILE A 122 19.405 10.749 10.582 1.00 0.00 H new ATOM 0 HG12 ILE A 122 19.703 11.447 13.549 1.00 0.00 H new ATOM 0 HG13 ILE A 122 18.787 12.346 12.356 1.00 0.00 H new ATOM 0 HG21 ILE A 122 19.293 8.676 11.853 1.00 0.00 H new ATOM 0 HG22 ILE A 122 20.842 8.823 10.989 1.00 0.00 H new ATOM 0 HG23 ILE A 122 20.769 9.124 12.742 1.00 0.00 H new ATOM 0 HD11 ILE A 122 17.299 11.033 13.796 1.00 0.00 H new ATOM 0 HD12 ILE A 122 17.214 10.451 12.116 1.00 0.00 H new ATOM 0 HD13 ILE A 122 18.144 9.538 13.328 1.00 0.00 H new ATOM 1935 N ALA A 123 22.109 11.367 9.148 1.00 0.00 N ATOM 1936 CA ALA A 123 22.863 10.853 8.017 1.00 0.00 C ATOM 1937 C ALA A 123 24.375 10.861 8.235 1.00 0.00 C ATOM 1938 O ALA A 123 25.050 9.960 7.735 1.00 0.00 O ATOM 1939 CB ALA A 123 22.503 11.667 6.771 1.00 0.00 C ATOM 0 H ALA A 123 21.447 12.092 8.873 1.00 0.00 H new ATOM 0 HA ALA A 123 22.586 9.806 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 123 23.063 11.290 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 123 21.435 11.577 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 123 22.754 12.715 6.936 1.00 0.00 H new ATOM 1945 N ASP A 124 24.910 11.824 8.995 1.00 0.00 N ATOM 1946 CA ASP A 124 26.350 11.888 9.264 1.00 0.00 C ATOM 1947 C ASP A 124 26.834 10.629 10.001 1.00 0.00 C ATOM 1948 O ASP A 124 27.936 10.122 9.771 1.00 0.00 O ATOM 1949 CB ASP A 124 26.695 13.152 10.057 1.00 0.00 C ATOM 1950 CG ASP A 124 28.179 13.459 9.880 1.00 0.00 C ATOM 1951 OD1 ASP A 124 28.503 14.083 8.842 1.00 0.00 O ATOM 1952 OD2 ASP A 124 29.005 12.993 10.693 1.00 0.00 O ATOM 0 H ASP A 124 24.368 12.568 9.434 1.00 0.00 H new ATOM 0 HA ASP A 124 26.870 11.932 8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 124 26.093 13.991 9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 124 26.463 13.009 11.112 1.00 0.00 H new ATOM 1957 N ASN A 125 25.966 10.056 10.838 1.00 0.00 N ATOM 1958 CA ASN A 125 26.161 8.798 11.539 1.00 0.00 C ATOM 1959 C ASN A 125 24.901 7.968 11.337 1.00 0.00 C ATOM 1960 O ASN A 125 24.193 7.643 12.289 1.00 0.00 O ATOM 1961 CB ASN A 125 26.514 9.044 13.015 1.00 0.00 C ATOM 1962 CG ASN A 125 26.879 7.747 13.728 1.00 0.00 C ATOM 1963 OD1 ASN A 125 26.175 7.280 14.616 1.00 0.00 O ATOM 1964 ND2 ASN A 125 27.999 7.136 13.366 1.00 0.00 N ATOM 0 H ASN A 125 25.065 10.483 11.052 1.00 0.00 H new ATOM 0 HA ASN A 125 27.009 8.242 11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 125 27.349 9.742 13.079 1.00 0.00 H new ATOM 0 HB3 ASN A 125 25.668 9.511 13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 125 28.280 6.271 13.827 1.00 0.00 H new ATOM 0 HD22 ASN A 125 28.579 7.531 12.626 1.00 0.00 H new ATOM 1971 N ASN A 126 24.613 7.650 10.068 1.00 0.00 N ATOM 1972 CA ASN A 126 23.374 6.975 9.696 1.00 0.00 C ATOM 1973 C ASN A 126 23.233 5.648 10.424 1.00 0.00 C ATOM 1974 O ASN A 126 22.139 5.317 10.866 1.00 0.00 O ATOM 1975 CB ASN A 126 23.273 6.766 8.183 1.00 0.00 C ATOM 1976 CG ASN A 126 21.822 6.591 7.772 1.00 0.00 C ATOM 1977 OD1 ASN A 126 21.064 7.556 7.810 1.00 0.00 O ATOM 1978 ND2 ASN A 126 21.403 5.423 7.324 1.00 0.00 N ATOM 0 H ASN A 126 25.229 7.853 9.281 1.00 0.00 H new ATOM 0 HA ASN A 126 22.553 7.625 9.999 1.00 0.00 H new ATOM 0 HB2 ASN A 126 23.706 7.620 7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 126 23.849 5.888 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 126 20.440 5.315 7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 126 22.042 4.628 7.297 1.00 0.00 H new ATOM 1985 N ILE A 127 24.348 4.913 10.563 1.00 0.00 N ATOM 1986 CA ILE A 127 24.524 3.669 11.315 1.00 0.00 C ATOM 1987 C ILE A 127 23.467 2.626 10.929 1.00 0.00 C ATOM 1988 O ILE A 127 23.063 1.755 11.707 1.00 0.00 O ATOM 1989 CB ILE A 127 24.775 3.976 12.812 1.00 0.00 C ATOM 1990 CG1 ILE A 127 25.482 2.797 13.512 1.00 0.00 C ATOM 1991 CG2 ILE A 127 23.527 4.415 13.592 1.00 0.00 C ATOM 1992 CD1 ILE A 127 26.339 3.254 14.696 1.00 0.00 C ATOM 0 H ILE A 127 25.218 5.200 10.114 1.00 0.00 H new ATOM 0 HA ILE A 127 25.439 3.149 11.030 1.00 0.00 H new ATOM 0 HB ILE A 127 25.436 4.842 12.818 1.00 0.00 H new ATOM 0 HG12 ILE A 127 24.735 2.084 13.861 1.00 0.00 H new ATOM 0 HG13 ILE A 127 26.111 2.274 12.792 1.00 0.00 H new ATOM 0 HG21 ILE A 127 23.796 4.609 14.630 1.00 0.00 H new ATOM 0 HG22 ILE A 127 23.121 5.323 13.147 1.00 0.00 H new ATOM 0 HG23 ILE A 127 22.777 3.625 13.553 1.00 0.00 H new ATOM 0 HD11 ILE A 127 26.816 2.388 15.156 1.00 0.00 H new ATOM 0 HD12 ILE A 127 27.104 3.946 14.345 1.00 0.00 H new ATOM 0 HD13 ILE A 127 25.708 3.753 15.431 1.00 0.00 H new ATOM 2004 N GLN A 128 23.036 2.747 9.678 1.00 0.00 N ATOM 2005 CA GLN A 128 22.041 1.959 8.982 1.00 0.00 C ATOM 2006 C GLN A 128 22.518 1.937 7.540 1.00 0.00 C ATOM 2007 O GLN A 128 22.866 3.025 7.033 1.00 0.00 O ATOM 2008 CB GLN A 128 20.642 2.603 9.132 1.00 0.00 C ATOM 2009 CG GLN A 128 19.520 1.611 9.466 1.00 0.00 C ATOM 2010 CD GLN A 128 19.086 0.727 8.297 1.00 0.00 C ATOM 2011 OE1 GLN A 128 18.875 1.191 7.180 1.00 0.00 O ATOM 2012 NE2 GLN A 128 18.963 -0.570 8.518 1.00 0.00 N ATOM 2013 OXT GLN A 128 22.632 0.825 6.974 1.00 0.00 O ATOM 0 H GLN A 128 23.417 3.473 9.071 1.00 0.00 H new ATOM 0 HA GLN A 128 21.937 0.949 9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 128 20.686 3.360 9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 128 20.391 3.118 8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 128 19.849 0.972 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 128 18.654 2.168 9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 128 19.140 -0.948 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 128 18.691 -1.193 7.758 1.00 0.00 H new TER 2022 GLN A 128